SCHEMBL4264397

SCHEMBL4264397

CCCCCCCCC(N=C=O)(N=C=O)N=C=O.O=C=NC1CCC(CC2CCC(N=C=O)CC2)CC1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 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
SCHEMBL10592894 0.80 TP53 (0.41) ALDH1A1
SCHEMBL25170574 0.79 GGPS1 (0.39)
SCHEMBL897711 0.79 GGPS1 (0.39)
SCHEMBL27959 0.79 GGPS1 (0.39)
SCHEMBL25169787 0.79 GGPS1 (0.39)
SCHEMBL25170625 0.79 GGPS1 (0.39)
SCHEMBL25167739 0.79 GGPS1 (0.39)
SCHEMBL25225539 0.79 GGPS1 (0.39)
SCHEMBL25176378 0.79 GGPS1 (0.39)
SCHEMBL25176597 0.79 GGPS1 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8231976-B2 Block-resistant, radiation-curable coating systems based on high molecular mass, aqueous polyurethane dispersions BAYER MATERIALSCIENCE AG (DE) 2012-07-31 US disclosed
US-20090269589-A1 BLOCK-RESISTANT, RADIATION-CURABLE COATING SYSTEMS BASED ON HIGH MOLECULAR MASS, AQUEOUS POLYURETHANE DISPERSIONS BAYER MATERIALSCIENCE AG 2009-10-29 US disclosed