SCHEMBL29131722

SCHEMBL29131722

CCC(Br)(CC(Br)=C(Br)CC(Br)(CC)C(=O)O)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.32
TSHR P16473 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
GRM2 Q14416 1/20 0.31
GRM3 Q14832 1/20 0.31
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
THRB P10828 1/20 0.30
KMT2A Q03164 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
SCHEMBL1449044 0.82
SCHEMBL15823994 0.81 ALDH1A1 (0.35) CYP2D6TSHRCYP2C19HIF1AGRM2
SCHEMBL9128090 0.75
SCHEMBL2286516 0.75
SCHEMBL1732567 0.73 MEN1 (0.35) CYP2C19GRM2GRM3MEN1ALDH1A1
SCHEMBL5945071 0.73
SCHEMBL1036503 0.73 MEN1 (0.35) CYP2C19GRM2GRM3MEN1ALDH1A1
SCHEMBL8796006 0.73
SCHEMBL1732836 0.73 MEN1 (0.35) CYP2C19GRM2GRM3MEN1ALDH1A1
SCHEMBL28392031 0.71 MEN1 (0.34) GRM2GRM3MEN1ALDH1A1CYP1A2

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
CN-117083747-A Flame retardant for battery electrolyte 雅宝公司 2023-11-17 CN disclosed