SCHEMBL18081306

SCHEMBL18081306

CC(=O)C(C(C)=O)C(=O)C1=C([N+](=O)[O-])CCC=C1

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.32

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
SCHEMBL8312472 0.76 ALDH1A1 (0.35)
SCHEMBL30349823 0.68 ALDH1A1 (0.32)
SCHEMBL11203642 0.64 ALDH1A1 (0.30)
SCHEMBL15003547 0.64
SCHEMBL15711352 0.64
SCHEMBL18434778 0.64
SCHEMBL20977414 0.64
SCHEMBL30349850 0.64 ALDH1A1 (0.32)
SCHEMBL19308518 0.64
SCHEMBL24488665 0.61

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-1924565-B1 DIAMINOPYRIMIDINES AS P2X3 AND P3X2/3 MODULATORS HOFFMANN LA ROCHE (CH) 2016-09-14 EP disclosed