SCHEMBL6969711

SCHEMBL6969711

[CH2]COC(=O)C(C#N)OC

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL28675397 0.81 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL667294 0.78 HCAR2 (0.34) ALDH1A1TSHR
SCHEMBL10632823 0.72 TSHR (0.37) ALDH1A1TSHR
SCHEMBL2770228 0.71 ALDH1A1 (0.31) ALDH1A1TSHR
SCHEMBL15715990 0.70
SCHEMBL26940449 0.70
SCHEMBL11799498 0.70
SCHEMBL26940419 0.70
SCHEMBL3145350 0.70
SCHEMBL11460488 0.69

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-1329160-A2 4-ACYLAMINOPYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-07-23 EP disclosed