SCHEMBL8470522

SCHEMBL8470522

CCCCN=C=O.CN=C=O

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
CASP1 P29466 1/20 0.45
NAAA Q02083 1/20 0.39

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
SCHEMBL9919 0.92
Fluoride SCHEMBL28174258 0.90
Hydrochloric Acid SCHEMBL8196526 0.90
Hexane SCHEMBL28217815 0.90 NAAA (0.48) TSHRNAAA
Ethane SCHEMBL28672154 0.85 NAAA (0.56) TSHRNAAA
Benzene SCHEMBL28876662 0.85 NAAA (0.39) NAAA
SCHEMBL11007310 0.85 NAAA (0.39) NAAA
Benzene SCHEMBL11855931 0.85 NAAA (0.39) NAAA
SCHEMBL28163436 0.85 NAAA (0.56) TSHRNAAA
Hexane SCHEMBL8984371 0.84 NAAA (0.48) TSHRNAAA

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
WO-1999038924-A1 COATING COMPOSITION SOLA INTERNATIONAL HOLDINGS LTD. (AU) 1999-08-05 WO disclosed