SCHEMBL16628466

SCHEMBL16628466

O=C=NC1CCC(CCCC2(N=C=O)CCC(N=C=O)CC2)(N=C=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.33

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
SCHEMBL821058 0.85 ALDH1A1 (0.45) ALDH1A1CYP3A4
SCHEMBL7193912 0.81 ALDH1A1 (0.42) ALDH1A1CYP3A4
SCHEMBL29008243 0.81 ALDH1A1 (0.46) ALDH1A1CYP3A4
SCHEMBL25403242 0.74 ALDH1A1 (0.50) ALDH1A1CYP3A4
SCHEMBL15262017 0.74
SCHEMBL10950301 0.74 ALDH1A1 (0.50) ALDH1A1CYP3A4
SCHEMBL28840185 0.72 ALDH1A1 (0.37) ALDH1A1CYP3A4
SCHEMBL11087648 0.71
SCHEMBL15574 0.71 ALDH1A1 (0.46) ALDH1A1CYP3A4
SCHEMBL9571980 0.71 ALDH1A1 (0.46) ALDH1A1CYP3A4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220025232-A1 TWO-COMPONENT ADHESIVE EMULSION TECHNOLOGY CO., LTD. (JP) 2022-01-27 US disclosed
US-20150105485-A1 URETHANE FOAM RUBBER AND COMPOSITION FOR FORMING URETHANE FOAM RUBBER YAMAHA CORPORATION (JP) 2015-04-16 US disclosed
EP-2860208-A1 Urethane foam rubber and composition for forming urethane foam rubber YAMAHA CORPORATION (JP) 2015-04-15 EP disclosed