SCHEMBL58165

SCHEMBL58165

[CH2]COCc1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.70
CA1 P00915 5/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
CA7 P43166 2/20 0.50
IDO1 P14902 1/20 0.50
AGXT P21549 1/20 0.48
KDM4E B2RXH2 1/20 0.45
POLB P06746 1/20 0.45
TACR1 P25103 2/20 0.44
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
CYP1A2 P05177 1/20 0.41
PTGS1 P23219 1/20 0.41
SLC6A2 P23975 1/20 0.41
CYP2C19 P33261 1/20 0.41
PTGS2 P35354 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HIF1A Q16665 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41

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
SCHEMBL28963881 0.97 TSHR (0.67) TSHRCA1CA2CA9CA7
Magnesium Chloride Anhydrous SCHEMBL28566339 0.91 TSHR (0.58) TSHRCA1CA2CA9CA7
SCHEMBL28207753 0.91 TSHR (0.58) TSHRCA1CA2CA9CA7
SCHEMBL1890425 0.88 TSHR (0.61) TSHRCA1CA2CA9CA7
SCHEMBL4675777 0.88 TSHR (0.61) TSHRCA1CA2CA9CA7
SCHEMBL23441237 0.86 TSHR (0.58) TSHRCA1CA2CA9CA7
SCHEMBL9489594 0.86 TSHR (0.58) TSHRCA1CA2CA9CA7
SCHEMBL2401846 0.86 TSHR (0.58) TSHRCA1CA2CA9CA7
Ethylene SCHEMBL11162366 0.83 TSHR (0.88) TSHRCA1CA2CA9CA7
SCHEMBL27380 0.83 TSHR (1.00) TSHRCA1CA2CA9CA7

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 3188 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4399212-A1 SUBSTITUTED 2,3-DIHYDRO[1,3]THIAZOLO[4,5-B]PYRIDINES, SALTS THEREOF AND THEIR USE AS HERBICIDALLY ACTIVE SUBSTANCES Bayer Aktiengesellschaft (DE) 2024-07-17 EP claimed
CN-118324729-A Synthesis method of 3-alkenyl benzofuran compound 青岛科技大学 2024-07-12 CN claimed
CN-118159542-A Substituted 2, 3-dihydro [1,3] thiazolo [4,5-b ] pyridines, salts thereof and their use as herbicidal agents 拜耳公司 2024-06-07 CN claimed
US-11998621-B2 Transparent, fracture-tough polymerization resins for the production of dental shaped bodies IVOCLAR VIVADENT AG (LI) 2024-06-04 US claimed
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
CN-117624029-A Arylpyridine or arylpiperidine derivative or salt thereof, synthesis and application and medicine 赣江中药创新中心 2024-03-01 CN claimed
US-20230398529-A1 ASYMMETRIC TRANSFER HYDROGENATION OF 2-ARYL SUBSTITUTED BICYCLIC PYRIDINE KETONES IN PRESENCE OF A CHIRAL RUTHENIUM CATALYST BAYER AKTIENGESELLSCHAFT (DE) 2023-12-14 US claimed
CN-117164492-A Organic semiconductor g-C 3 N 4 Method for catalytic synthesis of (E) -vinyl selenone compound 化学与精细化工广东省实验室 2023-12-05 CN claimed
CN-117024276-A Preparation method of fluorine-containing tetra-substituted carbon-centered olefin compound 南京工业大学 2023-11-10 CN claimed
US-20230339904-A1 ISOINDOLINONES, PHARMACEUTICAL COMPOSITIONS, AND THERAPEUTIC APPLICATIONS BIOTHERYX, INC. 2023-10-26 US claimed
US-4147804-A ANTIARRHYTHMIA AGENTS WILLIAM H. RORER, INC. (US) 1979-04-03 US claimed
US-4107192-A Antimicrobial esters of allphatic diols THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 1978-08-15 US claimed
US-4105665-A MONOMETHINE DYESTUFFS BAYER AKTIENGESELLSCHAFT (DE) 1978-08-08 US claimed
US-4066615-A PHOTOSTABILITY, THERMAL STABILITY SANKYO COMPANY LIMITED (JA) 1978-01-03 US claimed
US-4018796-A FIBERS BAYER AKTIENGESELLSCHAFT (DT) 1977-04-19 US claimed
US-4015012-A ANTHELMINTICS BAYER AKTIENGESELLSCHAFT (DT) 1977-03-29 US claimed
US-4000141-A SUBSTITUTED TETRAHYDRO QUINOLINE CATIONIC DYESTUFFS BAYER AKTIENGESELLSCHAFT (DT) 1976-12-28 US claimed
US-3991042-A Basic azo dyestuffs containing a benzthiazole and a tetrahydroquinoline nucleus BAYER AKTIENGESELLSCHAFT (DT) 1976-11-09 US claimed
US-3970699-A 4-Acylaminophenylacetamidines and a method for their preparation BAYER AKTIENGESELLSCHAFT (DT) 1976-07-20 US claimed
US-3933800-A O-SUBSTITUTED OXIMES, MICROBIOCIDES GRUPPO LEPETIT S.P.A. (IT) 1976-01-20 US claimed