SCHEMBL11599556

SCHEMBL11599556

C=C(C#N)OC(C)=O.C=C(C)C#N

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.52
HSD17B10 Q99714 1/20 0.46
ALDH1A1 P00352 2/20 0.41
TSHR P16473 2/20 0.41

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
SCHEMBL346922 0.95
Acetic Acid SCHEMBL28209314 0.73
Bicarbonate SCHEMBL6005434 0.73
SCHEMBL6135295 0.73
SCHEMBL10789863 0.72
SCHEMBL14868 0.72
SCHEMBL9859678 0.72 TDP1 (1.00) TDP1ALDH1A1TSHR
Water SCHEMBL11786429 0.72
SCHEMBL5494332 0.72
SCHEMBL28818077 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-4093570-A CROSSLINKABLE, MIXED ORGANIC MEDIUM; ASAHI KASEI KOGYO KABUSHIKI KAISHA (JA) 1978-06-06 US disclosed