SCHEMBL10831968

SCHEMBL10831968

C=Cc1ccc(C)c(Br)c1Br

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL4214816 0.84
SCHEMBL9019611 0.79 ALDH1A1 (0.38) ALDH1A1
SCHEMBL31089410 0.79 ALDH1A1 (0.38) ALDH1A1
SCHEMBL3321491 0.76 ALDH1A1 (0.44) ALDH1A1
SCHEMBL31668870 0.76 ALDH1A1 (0.42) ALDH1A1
SCHEMBL819186 0.76 ALDH1A1 (0.42) ALDH1A1
SCHEMBL361223 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL30547014 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL11229477 0.71 ALDH1A1 (0.44) ALDH1A1
SCHEMBL9571705 0.71 POLB (0.35) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4633026-A DEHYDROHALOGENATION OF RING-HALOGENATED ALPHA- OR BETA-BROMOETHYL BENZENES WITH STRONG BASE, POLYOXYETHYLENE GLYCOL CATALYST, AMINE POLYMERIZATION INHIBITOR ETHYL CORPORATION (US) 1986-12-30 US disclosed