SCHEMBL11348181

SCHEMBL11348181

C=C1CCCCC1C1CCCCC1.N=C=O.N=C=O

nearest known ligand 0.34

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL17913112 1.00 ALDH1A1 (0.34) ALDH1A1
SCHEMBL4619843 0.88 ALDH1A1 (0.34) ALDH1A1
SCHEMBL7627448 0.81 ALDH1A1 (0.32) ALDH1A1
SCHEMBL6593076 0.81 ALDH1A1 (0.35) ALDH1A1
SCHEMBL13576631 0.81 ALDH1A1 (0.35) ALDH1A1
SCHEMBL11814389 0.77 NOS3 (0.33)
SCHEMBL6014090 0.77 ALDH1A1 (0.35) ALDH1A1
SCHEMBL28459651 0.77 ALDH1A1 (0.38) ALDH1A1
SCHEMBL28772079 0.74 ALDH1A1 (0.35) ALDH1A1
SCHEMBL5201533 0.71 ALDH1A1 (0.53) 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
US-4261881-A PREVENTION OF DEPOLYMERIZATION DURING MELT SPINNING BY INCORPORATION OF AN ISOCYANATE CHEVRON RESEARCH COMPANY (US) 1981-04-14 US disclosed