SCHEMBL9717534

SCHEMBL9717534

ClP(c1ccc(Br)cc1)c1ccc(Br)cc1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.50
ALDH1A1 P00352 4/20 0.38
ALOX15 P16050 2/20 0.38
MAPK1 P28482 2/20 0.38
TDP1 Q9NUW8 1/20 0.35
CA2 P00918 3/20 0.33
CA1 P00915 2/20 0.33
TSHR P16473 1/20 0.33
CES2 O00748 1/20 0.33
CES1 P23141 1/20 0.33
HTR2A P28223 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
GAA P10253 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
SCHEMBL2884210 0.81 CYP2A6 (0.50) CYP2A6ALDH1A1ALOX15MAPK1TDP1
SCHEMBL3757571 0.73 CYP2A6 (0.57) CYP2A6ALDH1A1ALOX15MAPK1TDP1
SCHEMBL2154365 0.71 LMNA (0.53) CYP2A6ALDH1A1ALOX15MAPK1TDP1
SCHEMBL4276353 0.71 CYP2A6 (0.53) CYP2A6ALDH1A1ALOX15MAPK1TDP1
SCHEMBL18508 0.71
SCHEMBL11916255 0.69 CYP2A6 (0.50) CYP2A6ALDH1A1ALOX15MAPK1TDP1
SCHEMBL11770595 0.69 CYP2A6 (0.50) CYP2A6ALDH1A1ALOX15MAPK1TDP1
SCHEMBL2153517 0.69 CA1 (0.38) CA2CA1CES2CES1TAAR1
SCHEMBL28648779 0.69 CYP2A6 (0.50) CYP2A6ALDH1A1ALOX15MAPK1TDP1
SCHEMBL667708 0.69 ACHE (0.50) CYP2A6ALDH1A1TDP1CA2CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0340985-B1 PROCESS FOR PREPARING TRANS-2,2-DIMETHYL-3-(2,2-DIHALOVINYL)-CYCLOPROPANE CARBOXYLIC ACID HALIDE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-07-08 EP disclosed
US-4954651-A Process for preparing trans-2,2-dimethyl-3-(2,2-dihalovinyl)-cyclopropane carboxylic acid halide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-09-04 US disclosed
EP-0340985-A1 Process for preparing trans-2,2-dimethyl-3-(2,2-dihalovinyl)-cyclopropane carboxylic acid halide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-11-08 EP disclosed
US-4680342-A Flame resistant alkenyl aromatic compounds and polymers containing chemically bonded phosphorus and blends with polyphenylene ether GENERAL ELECTRIC COMPANY (US) 1987-07-14 US disclosed
EP-0147724-A2 Flame resistant alkenyl aromatic compounds and polymers containing chemically bonded phosphorus and blends with polyphenylene ether GENERAL ELECTRIC COMPANY (US) 1985-07-10 EP disclosed
US-3975447-A Preparation of aromatic phosphine oxides by reaction of diarylhalophosphine and benzylic halide E. I. DU PONT DE NEMOURS AND COMPANY (US) 1976-08-17 US disclosed