SCHEMBL7826296

SCHEMBL7826296

CC(C)(CBr)C(=O)C(C)(C)CBr

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.37
TSHR P16473 2/20 0.32
HMGCR P04035 1/20 0.30
CHRM1 P11229 1/20 0.30
TBXA2R P21731 1/20 0.30
ADRA1A P35348 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL13886363 0.78
SCHEMBL314782 0.78
SCHEMBL477823 0.78
SCHEMBL6180108 0.75 TRPA1 (0.33) TRPA1
SCHEMBL3714708 0.75
SCHEMBL10690402 0.75
SCHEMBL18718161 0.75
SCHEMBL116575 0.71
SCHEMBL13886372 0.70 CHRM2 (0.35) CHRM1
SCHEMBL9235035 0.69

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-6271392-B1 Intermediates useful for the synthesis of 1-arylpyrrole pesticides RHONE-POULENC INC. 2001-08-07 US disclosed
WO-1996033181-A1 ETHYNYLTHIAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1996-10-24 WO disclosed
EP-0708090-A1 Intermediates useful for the synthesis of pesticides RHONE-POULENC AGROCHIMIE (FR) 1996-04-24 EP disclosed
US-5182291-A Angina pectoris, hypotensive, antiarrhythmia, cerebral vascular insufficiency SANOFI (FR) 1993-01-26 US disclosed
US-5147878-A Hypotensive, antiarrhythmia agents SANOFI (FR) 1992-09-15 US disclosed
US-5039700-A Cardiovascular disorders, antitumor agents SANOFI (FR) 1991-08-13 US disclosed
US-5017579-A Use of aminoalkoxyphenyl derivatives for reducing and/or controlling excessive intraocular pressure SANOFI (FR) 1991-05-21 US disclosed
US-4957925-A HYPOTENSIVE AGENTS, ANTIARRHYTHMIA AGENTS, TREATMENT OF ANGINA SANOFI (FR) 1990-09-18 US disclosed