SCHEMBL8567914

SCHEMBL8567914

CC(C)C#N.CCN(C)C(C)C

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.47

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
Water SCHEMBL28817745 0.86
SCHEMBL438244 0.83
Hydrochloric Acid SCHEMBL29255907 0.80
SCHEMBL28821646 0.80
Bromide SCHEMBL11334148 0.80
SCHEMBL20414866 0.76
SCHEMBL11882744 0.75 TSHR (0.56) TSHR
SCHEMBL8570920 0.74 TSHR (0.64) TSHR
Trimethylammonium SCHEMBL9462043 0.73
SCHEMBL28215954 0.72

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-5723663-A REACTION OF NITRILE WITH HYDROGEN SULFIDE IN THE PRESENCE OF AMINE FINE ORGANICS, LTD. (GB) 1998-03-03 US disclosed