SCHEMBL8979471

SCHEMBL8979471

C=C[B-](c1ccccc1)(c1ccccc1)c1ccccc1.C[NH+](C)c1ccccc1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
TSHR P16473 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
Trimethylammonium SCHEMBL8979458 0.87 ALDH1A1 (0.35) ALDH1A1TSHR
SCHEMBL8756265 0.82 ALDH1A1 (0.41) ALDH1A1TSHR
Lithium Ion SCHEMBL8757350 0.80 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL8979478 0.78
SCHEMBL139663 0.76 ALDH1A1 (0.32) ALDH1A1
SCHEMBL8979469 0.76
SCHEMBL8979454 0.74 ALDH1A1 (0.43) ALDH1A1TSHR
SCHEMBL6694446 0.66 LMNA (0.32) TSHR
SCHEMBL9829174 0.66 LMNA (0.32) TSHR
SCHEMBL8979438 0.66 LMNA (0.35) ALDH1A1TSHR

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
EP-0710663-A1 Boron-containing compound, its polymer, catalyst comprising the polymer and metallocene compound, and process for producing polyolefin Japan Polyolefins Co., Ltd. (JP) 1996-05-08 EP disclosed