SCHEMBL1078047

SCHEMBL1078047

CC(C)C(C#N)(C#N)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38

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
SCHEMBL8275609 0.69 TSHR (0.38) TSHR
SCHEMBL28004235 0.67 TSHR (0.35) TSHR
SCHEMBL5808811 0.67 TSHR (0.35) TSHR
SCHEMBL5520774 0.67
SCHEMBL20202792 0.67
SCHEMBL28863422 0.65
SCHEMBL16236643 0.65
SCHEMBL765873 0.65
SCHEMBL28555639 0.65
SCHEMBL11041717 0.65 ALDH1A1 (0.39) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2276772-B1 BORON OR ALUMINUM COMPLEXES CENTRE NAT RECH SCIENT (FR) 2014-08-20 EP disclosed
EP-2276772-A2 BORON OR ALUMINUM COMPLEXES Centre National de la Recherche Scientifique (FR) 2011-01-26 EP disclosed
WO-2009122044-A2 BORON OR ALUMINUM COMPLEXES CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2009-10-08 WO disclosed