SCHEMBL17787353

SCHEMBL17787353

Bc1ccccc1C(O)C#N

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
TRPA1 O75762 1/20 0.31

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
SCHEMBL13937393 0.84 TSHR (0.61) TSHRTRPA1
SCHEMBL13068682 0.76 GABRA1 (0.35) TSHR
SCHEMBL22144403 0.76 TSHR (0.52) TSHRTRPA1
SCHEMBL639888 0.76 TSHR (0.52) TSHRTRPA1
SCHEMBL1628799 0.74 TSHR (0.50) TSHRTRPA1
SCHEMBL198213 0.74 TSHR (0.50) TSHR
SCHEMBL6687100 0.74 TSHR (0.50) TSHRTRPA1
SCHEMBL7351692 0.74 TSHR (0.50) TSHR
SCHEMBL194129 0.74 TSHR (0.50) TSHRTRPA1
SCHEMBL1201090 0.74 TSHR (0.50) TSHR

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-9353133-B2 Boron-containing small molecules ANACOR PHARMACEUTICALS, INC. (US) 2016-05-31 US disclosed