SCHEMBL9444538

SCHEMBL9444538

COCCOc1cscc1C

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.35
KDM1A O60341 7/20 0.34
POLB P06746 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
TSHR P16473 1/20 0.33
HTR2C P28335 2/20 0.31
HTR2B P41595 1/20 0.31
PLAU P00749 1/20 0.31
IKBKB O14920 1/20 0.31
EGFR P00533 1/20 0.30

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
SCHEMBL9444579 0.94 KDM4E (0.36) CYP2A6KDM1APOLBL3MBTL1TSHR
SCHEMBL28802816 0.81 L3MBTL1 (0.38) KDM1APOLBL3MBTL1
SCHEMBL22726955 0.81 MAPT (0.40) CYP2A6POLBTSHRHTR2CHTR2B
SCHEMBL19578520 0.81 L3MBTL1 (0.38) KDM1APOLBL3MBTL1
SCHEMBL12101527 0.79 HTR1B (0.39) CYP2A6
SCHEMBL27776 0.79 CYP2A6 (0.32) CYP2A6
SCHEMBL9444609 0.79 CYP2C9 (0.41)
SCHEMBL29161152 0.78 CYP2A6 (0.31) CYP2A6
SCHEMBL15422818 0.76 ESR1 (0.40) TSHRHTR2B
SCHEMBL19809502 0.76 ESR1 (0.40) TSHRHTR2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5225109-A ELECTRICALLY CONDUCTING POLYMERS AND THEIR PREPARATION HOECHST AG (DE) 1993-07-06 US disclosed
EP-0328984-B1 PROCESS FOR THE PREPARATON OF THIOPHENE ETHERS HOECHST AKTIENGESELLSCHAFT (DE) 1992-09-23 EP disclosed
US-5098529-A ELECTROCHEMICAL PROCESS FOR THE PRODUCTION OF ELECTRICALLY CONDUCTING POLY(ALKOXYTHIOPHENES) WITH CARBOXYLIC ACIDS ADDED HOECHST AKTIENGESELLSCHAFT (DE) 1992-03-24 US disclosed
EP-0416571-A2 Process for the electrochemical preparation, with the addition of carboxylic acids, of electroconductive poly (alkoxythiophenes) HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-13 EP disclosed
EP-0416570-A2 Process for the electrochemical preparation, with the addition of Brönsted acids, of electroconductive poly(alkoxythiophenes) HOECHST AKTIENGESELLSCHAFT (DE) 1991-03-13 EP disclosed
US-4931568-A REACTING C1-C3 ALYKYLOXYTHIOPHENES WITH ALCOHOL; MONOMERS FOR ELECTROCONDUCTIVE POLYMERS HOECHST AKTIENGESELLSCHAFT (DE) 1990-06-05 US disclosed
EP-0328982-A1 Electrically conductive polymers and their production HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-23 EP disclosed
EP-0328984-A1 Process for the preparaton of thiophene ethers HOECHST AKTIENGESELLSCHAFT (DE) 1989-08-23 EP disclosed