SCHEMBL98777

SCHEMBL98777

CCOP(=O)(O)C(C(=O)O)(P(=O)(O)OCC)P(=O)(O)OCC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.40
PPARD Q03181 2/20 0.40
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ACHE P22303 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL6623038 0.96 PPARD (0.38) TSHRPPARDTP53TDP1CA12
SCHEMBL814692 0.83 MEN1 (0.37) CYP3A4
SCHEMBL6579016 0.82 TSHR (0.40) TSHRPPARDTP53TDP1CA12
SCHEMBL2679555 0.80 PPARD (0.39) TSHRPPARDTP53TDP1CA12
SCHEMBL814225 0.79 CYP3A4 (0.48) TSHRCYP3A4
SCHEMBL4637563 0.79 PPARD (0.35) TSHRPPARDTP53TDP1CA12
SCHEMBL4550022 0.78 PPARD (0.38) TSHRPPARDTP53TDP1CA12
SCHEMBL98778 0.78 PPARD (0.38) TSHRPPARDTP53TDP1CA12
SCHEMBL5451688 0.78 TP53 (0.39) TSHRPPARDTP53TDP1CYP3A4
SCHEMBL7775440 0.78 PPARD (0.38) TSHRPPARDTP53TDP1CA12

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

Appears in 3317 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117304093-A Piperidone alkaloid and analogues, synthesis method and application thereof 暨南大学 2023-12-29 CN claimed
WO-2023243350-A1 POLYCARBONATE RESIN COMPOSITION AND MOLDED ARTICLE COMPRISING SAME 帝人株式会社 2023-12-21 WO claimed
WO-2023228768-A1 THERMOPLASTIC RESIN COMPOSITION AND MOLDED ARTICLE FORMED FROM SAME 帝人株式会社 2023-11-30 WO claimed
CN-111517932-B Preparation method and intermediate of fused tricyclic derivative 四川海思科制药有限公司 2023-03-24 CN claimed
US-20220274913-A1 PROCESS FOR MANUFACTURING A SUBSTITUTED CYCLOHEXANECARBONITRILE SOLVAY SA (BE) 2022-09-01 US claimed
EP-4028383-A1 PROCESS FOR MANUFACTURING A SUBSTITUTED CYCLOHEXANECARBONITRILE SOLVAY SA (BE) 2022-07-20 EP claimed
CN-112588448-B Composite collecting agent and application thereof in chalcopyrite flotation 中南大学 2021-12-14 CN claimed
CN-112588448-A Composite collecting agent and application thereof in chalcopyrite flotation 中南大学 2021-04-02 CN claimed
WO-2021048364-A1 PROCESS FOR MANUFACTURING A SUBSTITUTED CYCLOHEXANECARBONITRILE SOLVAY SA (BE) 2021-03-18 WO claimed
CN-111517932-A Preparation method and intermediate of fused tricyclic derivative 四川海思科制药有限公司 2020-08-11 CN claimed
EP-0892774-A4 PYRONIN ANTIBACTERIALS, PROCESS AND NOVEL INTERMEDIATES THERETO ANADYS PHARMACEUTICALS INC (US) 2001-10-04 EP claimed
US-6127551-A 4-HYDROXY-6-ETHYOXYCARBONYLALKENYL-2H-PYRAN-2-ONE IS ACYLATED WITH PROPIONYL CHLORIDE TO FORM A KETONE ADDUCT, FOLLOWED BY BASE-CATALYZED ALDOL TO FROM A PYRONE ALDOL; MESYLATION, FORM A PYRONE KETONE; AND CURTIUS SEQUENCE TO FORM MYXOPYRONIN SCRIPTGEN PHARMACEUTICALS, INC. (US) 2000-10-03 US claimed
US-5986111-A CONDENSATION OF ALDEHYDE WITH PYRONE TO FORM ADDUCT, OXIDATION AND SAPONIFICATION SCRIPTGEN PHARMACEUTICALS, INC. (US) 1999-11-16 US claimed
EP-0892774-A2 PYRONIN ANTIBACTERIALS, PROCESS AND NOVEL INTERMEDIATES THERETO SCRIPTGEN PHARMACEUTICALS, INC. (US) 1999-01-27 EP claimed
WO-1997034569-A2 PYRONIN ANTIBACTERIALS, PROCESS AND INTERMEDIATES SCRIPTGEN PHARMACEUTICALS, INC. (US) 1997-09-25 WO claimed
EP-0456932-B1 Propanol derivatives and perfumes containing the same TAKASAGO PERFUMERY CO LTD (JP) 1995-01-18 EP claimed
EP-0293220-B1 Pharmacologically active 2-and 3-substituted (1', 5'-diaryl-3-pyrazolyl)-N-Hydroxypropanamides and method for synthesizing ORTHO PHARMA CORP (US) 1994-08-31 EP claimed
EP-0396841-B1 Fluorinated arachidonic acid derivatives MERRELL DOW PHARMA (US) 1994-02-02 EP claimed
US-4384126-A Synthesis of deoxyzoapatanol derivatives ORTHO PHARMACEUTICAL CORPORATION (US) 1983-05-17 US claimed
US-4296035-A Total synthesis of the utero-evacuant substance d,l-zoapatanol ORTHO PHARMACEUTICAL CORPORATION (US) 1981-10-20 US claimed