SCHEMBL8679449

SCHEMBL8679449

Cc1ccc(C(Cl)(Cl)Cl)c(Cl)c1Cl

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL11003720 0.84 TSHR (0.50) CYP3A4TSHRMAPK1TDP1
SCHEMBL3903202 0.83 AR (0.31)
SCHEMBL10824246 0.80 GABRA1 (0.37) CYP3A4TSHRTDP1
SCHEMBL8321560 0.78 P2RX7 (0.41)
SCHEMBL631113 0.78 GABRA1 (0.40) CYP3A4TSHRMAPK1TDP1
SCHEMBL29403294 0.78 CYP3A4 (0.41) CYP3A4TSHRMAPK1TDP1
SCHEMBL477584 0.78 CYP3A4 (0.41) CYP3A4TSHRMAPK1TDP1
SCHEMBL4114626 0.74 TSHR (0.38) TSHRMAPK1
Water SCHEMBL28514557 0.74 CYP3A4 (0.39) CYP3A4TSHRMAPK1TDP1
SCHEMBL6415524 0.74 TSHR (0.48) CYP3A4TSHRMAPK1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4876404-A Preparation of dichlorotrifluoromethyltoluenes including novel isomers CENTRAL GLASS COMPANY, LIMITED (JP) 1989-10-24 US claimed
US-4446327-A PENTACHLORO-O-XYLENE, HYDROLYSIS, LEWIS ACID CATALYST DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1984-05-01 US claimed
JP-8127553-A None JP disclosed
JP-63270644-A None JP disclosed
JP-63270631-A None JP disclosed
CN-111825520-A Preparation process of alpha, alpha' -tetrachloro-o-xylene 西安思科赛实业有限公司 2020-10-27 CN disclosed
WO-1998024743-A1 TFPX SYNTHESIS SPECIALITY COATING SYSTEMS, INC. (US) 1998-06-11 WO disclosed
JP-H08127553-A PRODUCTION OF FORMYL BENZOIC ACID IHARA NIKKEI KAGAKU KOGYO KK 1996-05-21 JP disclosed
US-4876404-A Preparation of dichlorotrifluoromethyltoluenes including novel isomers CENTRAL GLASS COMPANY, LIMITED (JP) 1989-10-24 US disclosed
US-4876404-A Preparation of dichlorotrifluoromethyltoluenes including novel isomers CENTRAL GLASS COMPANY, LIMITED (JP) 1989-10-24 US disclosed
JP-S63270631-A NOVEL DICHLOROTRICHLOROMETHYLTOLUENE AND PRODUCTION THEREOF CENTRAL GLASS CO LTD 1988-11-08 JP disclosed
JP-S63270644-A NOVEL DICHLOROTRIFLUOROMETHYLNITROTOLUENE AND PRODUCTION THEREOF CENTRAL GLASS CO LTD 1988-11-08 JP disclosed
EP-0077853-B1 NOVEL TRIFLUOROMETHYL BENZAL CHLORIDES AND PROCESS FOR THE PREPARATION THEREOF OCCIDENTAL CHEMICAL CORPORATION (US) 1985-03-13 EP disclosed
US-4446327-A PENTACHLORO-O-XYLENE, HYDROLYSIS, LEWIS ACID CATALYST DYNAMIT NOBEL AKTIENGESELLSCHAFT (DE) 1984-05-01 US disclosed
EP-0077853-A1 Novel trifluoromethyl benzal chlorides and process for the preparation thereof OCCIDENTAL CHEMICAL CORPORATION (US) 1983-05-04 EP disclosed
US-4367348-A Novel trifluoromethyl benzal chlorides and process for the preparation thereof OCCIDENTAL CHEMICAL CORPORATION (US) 1983-01-04 US disclosed
US-4328374-A Process for the production of aromatic dialdehydes MITSUBISHI GAS CHEMICAL CO., INC. (JP) 1982-05-04 US disclosed
US-4007220-A HYDROLYSIS GRUPPO LEPETIT S.P.A. (IT) 1977-02-08 US disclosed