SCHEMBL22019516

SCHEMBL22019516

C=CCN(C/C=C/CN(CC=C)C(O)C(=C)C)C(=O)C(=C)C

nearest known ligand 0.32

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL18435766 0.84 ALDH1A1 (0.42) ALDH1A1
SCHEMBL22855562 0.79 ALDH1A1 (0.38) ALDH1A1
SCHEMBL131046 0.79 ALDH1A1 (0.46) ALDH1A1
SCHEMBL20287506 0.78 ALDH1A1 (0.37) ALDH1A1
SCHEMBL19472471 0.77 ALDH1A1 (0.34) ALDH1A1
SCHEMBL21216002 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL20287957 0.75 ALDH1A1 (0.35) ALDH1A1
SCHEMBL18435768 0.74 ALDH1A1 (0.34) ALDH1A1
SCHEMBL20274393 0.71 ALDH1A1 (0.37) ALDH1A1
SCHEMBL20274375 0.71 ALDH1A1 (0.35) ALDH1A1

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-3653194-A1 BIFUNCTIONAL AND POLYFUNCTIONAL COINITIATORS IN DENTAL COMPOSITIONS Dentsply DeTrey GmbH (DE) 2020-05-20 EP disclosed