SCHEMBL1783489

SCHEMBL1783489

Cc1cccc(C)c1Sc1c(C)cccc1C

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.47
CYP1A2 P05177 1/20 0.47
ACHE P22303 2/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 3/20 0.45
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA7 P43166 2/20 0.45
CA9 Q16790 2/20 0.45
SCN4A P35499 4/20 0.41
AR P10275 2/20 0.40
TRPA1 O75762 2/20 0.39
CD44 P16070 1/20 0.39
ATM Q13315 1/20 0.39
TYMS P04818 1/20 0.37

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
SCHEMBL9487225 0.87 TRPA1 (0.42) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL14163150 0.87 RAPGEF4 (0.41) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL9488226 0.83 HAO1 (0.47) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL5887695 0.81 TSHR (0.43) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL2028905 0.81 TRPA1 (0.54) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL29673665 0.81 TRPA1 (0.54) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL895629 0.80 CYP2A6 (0.47) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL9488037 0.79 HTR1A (0.45) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL4460481 0.78 CYP2A6 (0.45) CYP2A6CYP1A2ACHETSHRALDH1A1
SCHEMBL9488206 0.77 AR (0.44) CYP2A6CYP1A2ACHETSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105939995-A Synthesis of vortioxetine via (2-(piperazine-1 -yl)phenvl)lithium intermediates 斯洛文尼亚莱柯制药股份有限公司 2016-09-14 CN claimed
US-7671167-B2 Poly(arylene ether) copolymer SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2010-03-02 US claimed
US-20090247724-A1 POLY(ARYLENE ETHER) COPOLYMER SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2009-10-01 US claimed
EP-1969030-A2 POLY (ARYLENE ETHER) COPOLYMER GENERAL ELECTRIC COMPANY (US) 2008-09-17 EP claimed
EP-1966279-A1 POLYFUNCTIONAL POLY(ARYLENE ETHER) METHOD General Electric Company (US) 2008-09-10 EP claimed
WO-2007067669-A2 POLY (ARYLENE ETHER) COPOLYMER GENERAL ELECTRIC COMPANY (US) 2007-06-14 WO claimed
US-20070135609-A1 Poly(arylene ether) copolymer SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2007-06-14 US claimed
WO-2007058779-A1 POLYFUNCTIONAL POLY(ARYLENE ETHER) METHOD GENERAL ELECTRIC COMPANY (US) 2007-05-24 WO claimed
US-20070106051-A1 Polyfunctional poly(arylene ether) method CITIBANK, N.A., AS COLLATERAL AGENT 2007-05-10 US claimed
EP-3919544-B1 POLY(ARYLENE ETHER) COPOLYMER, METHOD TO PREPARE THE SAME, AND ARTICLE DERIVED THEREFROM SHPP GLOBAL TECH BV (NL) 2024-02-07 EP disclosed
EP-3940005-B1 CURABLE RESIN COMPOSITION AND CURED PRODUCT THEREOF SUMITOMO SEIKA CHEMICALS (JP) 2023-10-18 EP disclosed
US-20230227606-A1 POLY(ARYLENE ETHER) COPOLYMER, METHOD TO PREPARE THE SAME, AND ARTICLE DERIVED THEREFROM SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2023-07-20 US disclosed
US-20230183477-A1 CURABLE THERMOSETTING COMPOSITION INCLUDING POLY(ARYLENE ETHER) COPOLYMER SHPP GLOBAL TECHNOLOGIES B.V. (NL) 2023-06-15 US disclosed
WO-2023096341-A1 ETHYLENE-ALPHA-OLEFIN-BASED COPOLYMER HAVING CONTROLLED SHORT CHAIN BRANCH AMOUNT, PREPARATION METHOD THEREFOR, AND RESIN COMPOSITION AND MOLDED PRODUCT WHICH COMPRISE OLEFIN-BASED COPOLYMER 롯데케미칼 주식회사 2023-06-01 WO disclosed
WO-2007058779-A1 POLYFUNCTIONAL POLY(ARYLENE ETHER) METHOD GENERAL ELECTRIC COMPANY (US) 2007-05-24 WO disclosed
US-20070106051-A1 Polyfunctional poly(arylene ether) method CITIBANK, N.A., AS COLLATERAL AGENT 2007-05-10 US disclosed
CN-1527847-A High melt strength polymers and methods of making the same 2004-09-08 CN disclosed
CN-1368982-A Process for preparing in single reactor polymer blends having broad molecular weight distribution DUPONT DOW ELASTOMERS LLC (US) 2002-09-11 CN disclosed
CN-1225101-A Process for preparing copolymers and blend compositions containing the same DOW CHEMICAL CO (US) 1999-08-04 CN disclosed
US-5464906-A Polymerization catalyst THE DOW CHEMICAL COMPANY (US) 1995-11-07 US disclosed