Thiobenzoic Acid

Thiobenzoic Acid

SCHEMBL3383994

CCC(C)(C#N)OC(=S)c1ccccc1.OC(=S)c1ccccc1

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.36
ALDH1A1 P00352 2/20 0.31
HPGD P15428 1/20 0.31
MAPT P10636 1/20 0.31
CTSS P25774 1/20 0.30
CTSK P43235 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
Thiobenzoic Acid SCHEMBL4659781 0.83 LMNA (0.30) LMNA
Thiobenzoic Acid SCHEMBL15282222 0.83 NR4A2 (0.35) CYP1A2CYP2D6CYP2C19ALDH1A1HPGD
Thiobenzoic Acid SCHEMBL237869 0.81 ALDH1A1 (0.32) CYP1A2CYP2D6CYP2C19ALDH1A1HPGD
Thiobenzoic Acid SCHEMBL15282107 0.78 ALDH1A1 (0.33) CYP1A2CYP2D6CYP2C19ALDH1A1MAPT
SCHEMBL16820475 0.76 ALDH1A1 (0.35) CYP1A2CYP2D6CYP2C19LMNAALDH1A1
Thiobenzoic Acid SCHEMBL28774864 0.76 ALDH1A1 (0.40) CYP1A2CYP2D6CYP2C19ALDH1A1HPGD
Thiobenzoic Acid SCHEMBL236902 0.76 ALDH1A1 (0.40) CYP1A2CYP2D6CYP2C19ALDH1A1HPGD
Thiobenzoic Acid SCHEMBL28615094 0.74 CES1 (0.36) CYP1A2LMNAALDH1A1HPGDMAPT
Thiobenzoic Acid SCHEMBL28669412 0.74 CES2 (0.37) CYP2C19LMNAALDH1A1HPGDMAPT
Thiobenzoic Acid SCHEMBL163074 0.72 POLB (0.39) CYP1A2CYP2D6CYP2C19ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100279074-A1 PROCESS FOR PREPARING A POLYMERIC RELIEF STRUCTURE STICHTING DUTCH POLYMER INSTITUTE (NL) 2010-11-04 US disclosed
EP-2156247-B1 PROCESS FOR PREPARING A POLYMERIC RELIEF STRUCTURE STICHTING DUTCH POLYMER INST (NL) 2010-11-03 EP disclosed
EP-2156247-A1 PROCESS FOR PREPARING A POLYMERIC RELIEF STRUCTURE Stichting Dutch Polymer Institute (NL) 2010-02-24 EP disclosed
EP-2019336-A1 Process for preparing a polymeric relief structure Stichting Dutch Polymer Institute (NL) 2009-01-28 EP disclosed
EP-1149075-B1 SYNTHESIS OF DITHIOESTER CHAIN TRANSFER AGENTS COMMW SCIENT IND RES ORG (AU) 2008-12-31 EP disclosed
WO-2008151915-A1 PROCESS FOR PREPARING A POLYMERIC RELIEF STRUCTURE STICHTING DUTCH POLYMER INSTITUTE (NL) 2008-12-18 WO disclosed
EP-1149075-A4 SYNTHESIS OF DITHIOESTER CHAIN TRANSFER AGENTS AND USE OF BIS(THIOACYL) DISULFIDES OR DITHIOESTERS AS CHAIN TRANSFER AGENTS DU PONT (US) 2003-10-22 EP disclosed
US-6512081-B1 Synthesis of dithioester chain transfer agents and use of bis(thioacyl) disulfides or dithioesters as chain transfer agents E.I. DUPONT NEMOURS AND COMPANY 2003-01-28 US disclosed
EP-1149075-A1 SYNTHESIS OF DITHIOESTER CHAIN TRANSFER AGENTS AND USE OF BIS(THIOACYL) DISULFIDES OR DITHIOESTERS AS CHAIN TRANSFER AGENTS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2001-10-31 EP disclosed
WO-1999005099-A1 SYNTHESIS OF DITHIOESTER CHAIN TRANSFER AGENTS AND USE OF BIS(THIOACYL) DISULFIDES OR DITHIOESTERS AS CHAIN TRANSFER AGENTS COMMONWEALTH SCIENTIFIC AND INDUSTRIAL RESEARCH ORGANISATION (AU) 1999-02-04 WO disclosed