SCHEMBL7765528

SCHEMBL7765528

CC(C)CCC(C)N(N=O)c1ccc(N(N=O)C(C)CCC(C)C)cc1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL9064321 0.87 NPC1 (0.30)
SCHEMBL7769399 0.87 ALDH1A1 (0.52) ALDH1A1
SCHEMBL4295727 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL10796243 0.78 CA9 (0.38) ALDH1A1
SCHEMBL10794057 0.77 PSEN1 (0.41)
SCHEMBL9878147 0.74
SCHEMBL9064496 0.74 ALDH1A1 (0.44) ALDH1A1
SCHEMBL10793914 0.74 PSEN1 (0.40) ALDH1A1
SCHEMBL10795633 0.74 NPC1 (0.42) ALDH1A1
SCHEMBL9877797 0.73 ALDH1A1 (0.36) 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
US-6210536-B1 DISTILLATION OF ACRYLIC OR METHACRYLIC ACID OR ESTER IN PRESENCE OF POLYMERIZATION INHIBITOR COMPRISING N,N*-DINITROSO PHENYLENEDIAMINE COMPOUND, A HYDROQUINONE OR HYDROQUINONE MONOMETHYL ETHER, PHENYLENEDIAMINE COMPOUND, PHENOTHIAZINE UNIROYAL CHEMICAL COMPANY, INC. 2001-04-03 US claimed
US-6210536-B1 DISTILLATION OF ACRYLIC OR METHACRYLIC ACID OR ESTER IN PRESENCE OF POLYMERIZATION INHIBITOR COMPRISING N,N*-DINITROSO PHENYLENEDIAMINE COMPOUND, A HYDROQUINONE OR HYDROQUINONE MONOMETHYL ETHER, PHENYLENEDIAMINE COMPOUND, PHENOTHIAZINE UNIROYAL CHEMICAL COMPANY, INC. 2001-04-03 US disclosed