SCHEMBL1121969

SCHEMBL1121969

C=CCC(S)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.46
HSD17B10 Q99714 1/20 0.46
ATM Q13315 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
TSHR P16473 1/20 0.38
TAAR1 Q96RJ0 3/20 0.37
HTR2A P28223 1/20 0.36

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
SCHEMBL3996056 0.81 CYP2C19 (0.55) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL10672180 0.80 ATM (0.51) CYP2C19SMN1; SMN2ATML3MBTL1TSHR
SCHEMBL300321 0.78 ESR1 (0.39) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL9854767 0.78 SMN1; SMN2 (0.33) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL691762 0.78 CYP2C19 (0.57) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL8181824 0.77 CYP2D6 (0.39) CYP2C19SMN1; SMN2KDM4EL3MBTL1TAAR1
SCHEMBL19285046 0.77 TAAR1 (0.52) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL3022203 0.77 TAAR1 (0.52) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
SCHEMBL9003499 0.76 CYP2C19 (0.55) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT
Ammonia Solution, Strong SCHEMBL11201030 0.76 CYP2C19 (0.55) CYP2C19SMN1; SMN2ALDH1A1KDM4EMAPT

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118420496-A Preparation method of 4, 5-pentafluoropentylthiol 新未来(天津)生物科技有限公司 2024-08-02 CN claimed
CN-113930275-B Lubricating oil for oil-cooled motor hybrid power reduction gearbox and application thereof 中国石油化工股份有限公司 2022-12-06 CN claimed
CN-113930275-A Lubricating oil for oil-cooled motor hybrid power reduction gearbox and application thereof 中国石油化工股份有限公司 2022-01-14 CN claimed
US-3944491-A ALKYLBENZYL MERCAPTAN PHILLIPS PETROLEUM COMPANY (US) 1976-03-16 US claimed
CN-113930275-B Lubricating oil for oil-cooled motor hybrid power reduction gearbox and application thereof 中国石油化工股份有限公司 2022-12-06 CN disclosed
CN-113930275-B Lubricating oil for oil-cooled motor hybrid power reduction gearbox and application thereof 中国石油化工股份有限公司 2022-12-06 CN disclosed
CN-113930275-A Lubricating oil for oil-cooled motor hybrid power reduction gearbox and application thereof 中国石油化工股份有限公司 2022-01-14 CN disclosed
CN-113930275-A Lubricating oil for oil-cooled motor hybrid power reduction gearbox and application thereof 中国石油化工股份有限公司 2022-01-14 CN disclosed
CN-108003995-B Hydraulic transmission dual-purpose oil and preparation method thereof 河北深思新材料技术有限公司 2021-04-20 CN disclosed
CN-105623811-B Stainless steel calendering dropping board oil 广州科卢斯流体科技有限公司 2020-01-14 CN disclosed
EP-1836251-B1 STABILIZER COMPOSITION CONTAINING PHOSPHITE ESTERS BAERLOCHER ITALIA S P A (IT) 2011-02-09 EP disclosed
EP-1836251-A1 STABILIZER COMPOSITION CONTAINING PHOSPHITE ESTERS Baerlocher Italia S.p.A. (IT) 2007-09-26 EP disclosed
WO-2006066947-A1 STABILIZER COMPOSITION CONTAINING PHOSPHITE ESTERS BAERLOCHER ITALIA S.P.A. (IT) 2006-06-29 WO disclosed
US-20050192401-A1 Aid and method for processing thermoplastic polymer compositions BAERLOCHER GMBH 2005-09-01 US disclosed
US-20050040367-A1 A liquid stabilizer of an organic onium perchlorate and an organic solvent for the stabilization of halogen-containing polymers to improve the starting color; reduction of cloudiness in highly transparent end products, e.g., hard or soft Polyvinyl Chloride BAERLOCHER GMBH 2005-02-24 US disclosed
US-3944491-A ALKYLBENZYL MERCAPTAN PHILLIPS PETROLEUM COMPANY (US) 1976-03-16 US disclosed
US-3944491-A ALKYLBENZYL MERCAPTAN PHILLIPS PETROLEUM COMPANY (US) 1976-03-16 US disclosed