SCHEMBL9565733

SCHEMBL9565733

Nc1c(CCO)c(CC(F)(F)F)c(N)c([N+](=O)[O-])c1CCO

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL4238565 0.87 TSHR (0.37) TSHR
SCHEMBL6293659 0.78 TSHR (0.38) TSHR
SCHEMBL9820279 0.70 TSHR (0.35) TSHR
SCHEMBL9820250 0.67 SMN1; SMN2 (0.40) TSHR
SCHEMBL8798677 0.66 ALDH1A1 (0.39) TSHR
SCHEMBL9820298 0.66 IMPDH2 (0.30)
SCHEMBL211655 0.66 HTT (0.39) TSHR
SCHEMBL7521032 0.65 TDP1 (0.30)
SCHEMBL9820295 0.65 IMPDH2 (0.32)
SCHEMBL198863 0.65 ALDH1A1 (0.44) 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
EP-0532039-A1 N1-trifluoroalkyl substituted 2-nitro-p-phenylenediamine dyes Bristol-Myers Squibb Company (US) 1993-03-17 EP disclosed