SCHEMBL107651

SCHEMBL107651

CC(C)(C(=O)O)C(=O)O.[NaH]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.53
ALDH1A1 P00352 3/20 0.53
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
HIF1A Q16665 1/20 0.40
TP53 P04637 1/20 0.38
FFAR3 O14843 1/20 0.36
LCK P06239 1/20 0.36
FYN P06241 1/20 0.36
HMGCR P04035 1/20 0.35
CHRM1 P11229 1/20 0.35
TBXA2R P21731 1/20 0.35
ADRA1A P35348 1/20 0.35
CYP2C9 P11712 1/20 0.33
TET2 Q6N021 1/20 0.32
ELANE P08246 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
GGT1 P19440 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL28316445 0.96 TSHR (0.50) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL28314438 0.96 TSHR (0.50) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL52160 0.96
SCHEMBL11587164 0.92 TSHR (0.53) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL105855 0.92 TSHR (0.53) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL28315587 0.92 TSHR (0.53) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Hydrochloric Acid SCHEMBL808934 0.92 TSHR (0.53) TSHRALDH1A1CYP2D6CYP2C19HIF1A
Hydrochloric Acid SCHEMBL4682921 0.92 TSHR (0.53) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL106724 0.92 TSHR (0.53) TSHRALDH1A1CYP2D6CYP2C19HIF1A
SCHEMBL28316146 0.92 TSHR (0.53) TSHRALDH1A1CYP2D6CYP2C19HIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 173 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110172019-A The metal salt of malonic acid as the nucleating additive for crystalline thermoplastic 印度石油有限公司 2019-08-27 CN claimed
US-20190256683-A1 METAL SALTS OF MALONIC ACID AS NUCLEATING ADDITIVES FOR CRYSTALLINE THERMOPLASTICS INDIAN OIL CORPORATION LIMITED (IN) 2019-08-22 US claimed
EP-3527616-A1 METAL SALTS OF MALONIC ACID AS NUCLEATING ADDITIVES FOR CRYSTALLINE THERMOPLASTICS INDIAN OIL CORPORATION Ltd. (IN) 2019-08-21 EP claimed
US-20160046582-A1 CRYSTALS OF LAQUINIMOD SODIUM AND IMPROVED PROCESS FOR THE MANUFACTURE THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2016-02-18 US claimed
EP-2970129-A2 CRYSTALS OF LAQUINIMOD SODIUM AND IMPROVED PROCESS FOR THE MANUFACTURE THEREOF Teva Pharmaceutical Industries Ltd. (IL) 2016-01-20 EP claimed
WO-2014153145-A2 CRYSTALS OF LAQUINIMOD SODIUM AND IMPROVED PROCESS FOR THE MANUFACTURE THEREOF TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2014-09-25 WO claimed
US-5756594-A CATALYTIC POLYMERIZATION OF ALDEHYDE CARBOXYLATE MONOMER TO FORM POLYACETAL AND CROSSLINKING WITH POLYVINYL ETHERS, DIESTERS, DIEPOXIDES, ANHYDRIDES, DINITRILES AND DIACYL COMPOUNDS BASF AKTIENGESELLSCHAFT (DE) 1998-05-26 US claimed
WO-2024200617-A1 PROCESS AND INTERMEDIATES FOR PREPARING A DRUG FOR THE TREATMENT OF UREA CYCLE DISORDERS DIPHARMA FRANCIS S.R.L. (IT) 2024-10-03 WO disclosed
EP-3527616-B1 METAL SALTS OF MALONIC ACID AS NUCLEATING ADDITIVES FOR CRYSTALLINE THERMOPLASTICS INDIAN OIL CORP LTD (IN) 2024-02-07 EP disclosed
CN-109477829-B Nuclear magnetic resonance analysis method for glycosaminoglycan, heparin and derivatives thereof 罗维药物实验室股份有限公司 2022-06-21 CN disclosed
CN-108475822-B Nonaqueous electrolyte solution for secondary battery and secondary battery provided with same 斯泰拉化工公司 2022-03-11 CN disclosed
CN-110172019-B Metal salts of malonic acid as nucleating additives for crystalline thermoplastics 印度石油有限公司 2022-03-04 CN disclosed
US-11180630-B2 Metal salts of malonic acid as nucleating additives for crystalline thermoplastics INDIAN OIL CORPORATION LIMITED (IN) 2021-11-23 US disclosed
EP-0256095-A4 ANTI-INFLAMMATORY CARBOXY PREGNANE DERIVATIVES. UNIV FLORIDA AGRICULT MECH (US) 1988-09-28 EP disclosed
US-4762919-A STEROIDS FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 1988-08-09 US disclosed
EP-0256095-A1 ANTI-INFLAMMATORY CARBOXY PREGNANE DERIVATIVES. UNIV FLORIDA AGRICULT MECH (US) 1988-02-24 EP disclosed
WO-1987005028-A1 ANTI-INFLAMMATORY CARBOXY PREGNANE DERIVATIVES FLORIDA AGRICULTURAL AND MECHANICAL UNIVERSITY (US) 1987-08-27 WO disclosed
US-4689423-A Process for the preparation of 2,3,4,5-tetrafluorobenzoyl acetates WARNER-LAMBERT COMPANY (US) 1987-08-25 US disclosed
US-4643763-A PLANT GROWTH REGULATORS ICI AUSTRALIA LIMITED (AU) 1987-02-17 US disclosed
EP-0181692-A2 Cyclohexane-1,3-dione derivatives, compositions containing them, processes for making them, and their use as herbicides and plant growth regulators ICI AUSTRALIA LIMITED (AU) 1986-05-21 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190256683-A1 METAL SALTS OF MALONIC ACID AS NUCLEATING ADDITIVES FOR CRYSTALLINE THERMOPLASTICS NUMA1, MNS1, ME1 TSHR 4737/4885ALDH1A1 727/4885CYP2D6 2405/4885
US-11180630-B2 Metal salts of malonic acid as nucleating additives for crystalline thermoplastics NUMA1, MNS1, ME1 TSHR 4737/4885ALDH1A1 727/4885CYP2D6 2405/4885
US-20160046582-A1 CRYSTALS OF LAQUINIMOD SODIUM AND IMPROVED PROCESS FOR THE MANUFACTURE THEREOF HLA-DRB1, HAAO, RECQL TSHR 4064/4885ALDH1A1 1585/4885CYP2D6 199/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.