SCHEMBL3657333

SCHEMBL3657333

O=C=NC(N=C=O)(C1CCCCC1)C1CCCCC1.O=C=NC1CCC(CC2CCCCC2N=C=O)CC1

nearest known ligand 0.40

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL28192674 0.88 ALDH1A1 (0.48) ALDH1A1
SCHEMBL26017 0.86 ALDH1A1 (0.48) ALDH1A1
SCHEMBL2350002 0.86 ALDH1A1 (0.48) ALDH1A1
SCHEMBL3915458 0.78 ALDH1A1 (0.41) ALDH1A1
SCHEMBL4393009 0.77 ALDH1A1 (0.40) ALDH1A1
SCHEMBL10706590 0.74 ALDH1A1 (0.44) ALDH1A1
SCHEMBL1179082 0.73 ALDH1A1 (0.48) ALDH1A1
SCHEMBL9554352 0.72 ALDH1A1 (0.71) ALDH1A1
SCHEMBL3451197 0.72 ALDH1A1 (0.64) ALDH1A1
SCHEMBL840992 0.72 ALDH1A1 (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2203495-A1 POLYURETHANE RESINS FOR LAMINATING INKS Cognis IP Management GmbH (DE) 2010-07-07 EP claimed
WO-2009052973-A1 POLYURETHANE RESINS FOR LAMINATING INKS COGNIS IP MANAGEMENT GMBH (DE) 2009-04-30 WO claimed