SCHEMBL8713535

SCHEMBL8713535

CC(C)(CNCCCCNCC(C)(C)[N+](=O)[O-])[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
CHRM2 P08172 1/20 0.32

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
SCHEMBL9814471 0.98 CHRM2 (0.34) ALDH1A1CHRM2
SCHEMBL5872431 0.98 CHRM2 (0.34) ALDH1A1CHRM2
SCHEMBL9814480 0.98 CHRM2 (0.34) ALDH1A1CHRM2
SCHEMBL1279123 0.98 CHRM2 (0.34) ALDH1A1CHRM2
SCHEMBL9175764 0.98 CHRM2 (0.34) ALDH1A1CHRM2
SCHEMBL9814556 0.95 ALDH1A1 (0.35) ALDH1A1
SCHEMBL9292353 0.91 ALDH1A1 (0.38) ALDH1A1
SCHEMBL10518927 0.90 ALDH1A1 (0.43) ALDH1A1
SCHEMBL9293201 0.87 CA12 (0.36) ALDH1A1
SCHEMBL1989571 0.85 ALDH1A1 (0.41) 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-63203651-A None JP disclosed
EP-0514876-B1 Rubber composition suitable for automobile tires and its production SUMITOMO CHEMICAL CO (JP) 1998-10-14 EP disclosed
US-5362785-A Dinitrodiamine, sulfide SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1994-11-08 US disclosed
EP-0410152-B1 Rubber composition having excellent dynamic properties SUMITOMO CHEMICAL CO (JP) 1994-02-23 EP disclosed
EP-0514876-A1 Rubber composition suitable for automobile tires and its production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-11-25 EP disclosed
US-5109055-A Blend with a dinitrodiamine compound with n-(cyclohexylthio)-phthalimide and(or) 2,3,5,6-tetrachloro-1,4-benzoqionone SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-04-28 US disclosed
EP-0290883-B1 MODIFIED DIENE POLYMER RUBBERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-09-18 EP disclosed
EP-0410152-A1 Rubber composition having excellent dynamic properties SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-01-30 EP disclosed
US-4885338-A REACTING ALKALI METAL-CONTAINING CONJUGATED DIENE POLYMER WITH NITROALKYL ACRYLATE OR NITROAMINO COMPOUND; TIRE TREADS, IMPACT RESILIENCE, REDUCED HARDNESS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-12-05 US disclosed
EP-0290883-A1 Modified diene polymer rubbers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1988-11-17 EP disclosed
JP-S63203651-A NOVEL DINITRODIAMINE COMPOUND SUMITOMO CHEM CO LTD 1988-08-23 JP disclosed