SCHEMBL561014

SCHEMBL561014

O=S(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 8/20 0.68
CA9 Q16790 7/20 0.68
CA1 P00915 6/20 0.68
TSHR P16473 2/20 0.52
IDO1 P14902 1/20 0.48
AGXT P21549 1/20 0.46
CA12 O43570 3/20 0.46
CA5A P35218 2/20 0.46
CA7 P43166 2/20 0.46
CA4 P22748 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
ALDH1A1 P00352 3/20 0.45
FAAH O00519 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
ELANE P08246 1/20 0.44
PRTN3 P24158 1/20 0.44
PRSS3 P35030 1/20 0.44
KMT2A Q03164 3/20 0.43
MAPK1 P28482 1/20 0.43

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
Ammonia Solution, Strong SCHEMBL28824539 0.98 CA2 (0.65) CA2CA9CA1TSHRIDO1
SCHEMBL4335744 0.89 CA2 (0.57) CA2CA9CA1TSHRIDO1
SCHEMBL28497448 0.89 CA9 (0.57) CA2CA9CA1TSHRIDO1
Ammonia Solution, Strong SCHEMBL27885482 0.88 CA2 (0.55) CA2CA9CA1TSHRIDO1
Guanidine SCHEMBL27324714 0.88 CA2 (0.60) CA2CA9CA1TSHRIDO1
SCHEMBL1263516 0.87 CA2 (0.59) CA2CA9CA1TSHRIDO1
SCHEMBL4332693 0.87 CA2 (0.59) CA2CA9CA1TSHRIDO1
SCHEMBL7707373 0.86 CA2 (0.53) CA2CA9CA1TSHRALDH1A1
Tetramethylammonium Ion SCHEMBL27922663 0.86 CA2 (0.53) CA2CA9CA1TSHRCA12
SCHEMBL28624040 0.85 CA2 (0.68) CA2CA9CA1TSHRIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117096450-B Secondary battery electrolyte and battery thereof 瑞浦兰钧能源股份有限公司 2024-03-15 CN claimed
CN-116396481-A Imidazolinyl quaternary ammonium salt silicone oil pickling corrosion inhibitor and preparation method and application thereof 佛山市天宝利硅工程科技有限公司 2023-07-07 CN claimed
WO-2022069013-A1 MEDICINAL COMPOSITION FOR THE TREATMENT AND PREVENTION OF COVID-19 AND OTHER INFECTIONS AND CONDITIONS. NOVEL USES OF ALPHA-ACETOXYTOLUENE, BENZYL ALCOHOL AND BENZYL GROUPS FOR CONTROLLING THE COVID-19 PANDEMIC AND OTHER INFECTIONS AND CONDITIONS OMAR BENCHERGUIA (DZ) 2022-04-07 WO claimed
CN-113573584-A Microencapsulated acetamide herbicides 孟山都技术有限公司 2021-10-29 CN claimed
CN-113395900-A Compositions comprising a carboxypyridine herbicide and a 4-hydroxyphenyl-pyruvate dioxygenase (HPPD) inhibitor herbicide 科迪华农业科技有限责任公司 2021-09-14 CN claimed
CN-112955011-A Compositions comprising a carboxypyridine herbicide in combination with a photosystem II and optionally an HPPD inhibitor herbicide 科迪华农业科技有限责任公司 2021-06-11 CN claimed
CN-105777790-B A kind of adjacent carborane phenol derivatives and its preparation method and application 南京远淑医药科技有限公司 2017-11-14 CN claimed
US-9809822-B2 Triptolide derivatives and preparation method and use thereof HONG KONG BAPTIST UNIVERSITY (HK) 2017-11-07 US claimed
US-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF HONG KONG BAPTIST UNIVERSITY (HK) 2016-12-15 US claimed
CN-105777790-A O-carborane phenol derivative as well as preparation method and application thereof 南京远淑医药科技有限公司 2016-07-20 CN claimed
US-6265106-B1 HIGH CURRENT PULSES AND CAPACITY; ORGANIC SULFATE ADDITIVE WILSON GREATBATCH LTD. 2001-07-24 US claimed
EP-1109244-A2 Sulfate additives for nonaqueous electrolyte rechargeable cells WILSON GREATBATCH LTD. (US) 2001-06-20 EP claimed
US-6180283-B1 Method for reducing voltage delay in an alkali metal electrochemical cell activated with a nonaqueous electrolyte having a sulfate additive WILSON GREATBATCH LTD. 2001-01-30 US claimed
EP-1005098-A2 Alkali metal electrochemical cell having an improved cathode activated with a nonaqueous electrolyte having a passivation inhibitor additive WILSON GREATBATCH LTD. (US) 2000-05-31 EP claimed
EP-0940410-A1 Novel heparin-like sulfated polysaccharides FIDIA ADVANCED BIOPOLYMERS S.R.L. (IT) 1999-09-08 EP claimed
US-5663366-A Process for the synthesis of 4,5-diaminopyrazole derivatives useful for dyeing hair WELLA AKTIENGESELLSCHAT (DE) 1997-09-02 US claimed
US-5547806-A ADDING A DIALKYL SULFATE AND A POLYFUNCTIONAL ISOCYANATE COMPOUND; EMULSIFICATION; POLYMERIZATION; MICROENCAPSULATION FUJI PHOTO FILM CO., LTD. (JP) 1996-08-20 US claimed
EP-0448278-B1 Clear stick anti-perspirant COLGATE PALMOLIVE CO (US) 1994-07-13 EP claimed
EP-0448278-A1 Clear stick anti-perspirant Colgate-Palmolive Company (US) 1991-09-25 EP claimed
US-4410702-A PHOTOGRAPHIC ACTIVATORS CIBA-GEIGY AG (CH) 1983-10-18 US claimed

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

For each of this compound's patents that has machine-readable text (1 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-20160362691-A1 TRIPTOLIDE DERIVATIVES AND PREPARATION METHOD AND USE THEREOF TPD52L2, TRDMT1, MCTS1 CA2 2109/4885CA9 618/4885CA1 1962/4885

“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.