SCHEMBL28040129

SCHEMBL28040129

Cc1ccccc1C(Br)(Br)c1ccc(Br)c(Br)c1Br

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.33
ACHE P22303 1/20 0.33
CASR P41180 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
NPC1 O15118 1/20 0.30
MAPK1 P28482 1/20 0.30
RAB9A P51151 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
SCHEMBL15864518 0.76
SCHEMBL27646568 0.74 TSHR (0.32) ALDH1A1TSHR
SCHEMBL2037202 0.73
SCHEMBL4109393 0.69 TSHR (0.41) ALDH1A1TSHRACHEGABRA1GABRB2
SCHEMBL5073200 0.68
SCHEMBL29164446 0.68 CA2 (0.33) ALDH1A1TSHR
SCHEMBL8784146 0.67 TSHR (0.50) ALDH1A1TSHRACHECASRGABRA1
SCHEMBL328793 0.67
SCHEMBL12925871 0.67 TSHR (0.50) ALDH1A1TSHRACHECASRGABRA1
SCHEMBL31521770 0.67 TSHR (0.50) ALDH1A1TSHRACHECASRGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105102410-B Preparation of bromine-containing aromatic compounds and their use as flame retardants 溴化合物有限公司 2018-03-02 CN claimed
CN-105102410-A Preparation of bromine-containing aromatic compounds and their use as flame retardants BROMINE COMPOUNDS LTD 2015-11-25 CN claimed
CN-105102410-B Preparation of bromine-containing aromatic compounds and their use as flame retardants 溴化合物有限公司 2018-03-02 CN disclosed
CN-105102410-A Preparation of bromine-containing aromatic compounds and their use as flame retardants BROMINE COMPOUNDS LTD 2015-11-25 CN disclosed