SCHEMBL29907229

SCHEMBL29907229

Cc1ccccc1CC(C)(I)c1ccccc1.Fc1c(F)c(F)c([B-](c2c(F)c(F)c(F)c(F)c2F)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.32
NR3C1 P04150 1/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL2008111 0.85 TAAR1 (0.39) TAAR1
SCHEMBL29465917 0.83 NR3C2 (0.32) KIF11NR3C1TAAR1
SCHEMBL28753384 0.78 NR3C1 (0.33) NR3C1
SCHEMBL28420761 0.76 ERCC5 (0.40)
SCHEMBL410284 0.71 TAAR1 (0.36) TAAR1
SCHEMBL28452257 0.71 ACHE (0.33) KIF11
SCHEMBL30641168 0.71 KIF11 (0.37) KIF11
SCHEMBL30930283 0.70 TAAR1 (0.35) TAAR1
O-Xylene SCHEMBL30509215 0.69 TSHR (0.48)
O-Xylene SCHEMBL30386408 0.69 TSHR (0.48)

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-115279518-A Composition comprising flaky transition metal particles 巴斯夫欧洲公司 2022-11-01 CN disclosed