SCHEMBL9814489

SCHEMBL9814489

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

nearest known ligand 0.36

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 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
SCHEMBL9293130 0.92 ALDH1A1 (0.31) ALDH1A1L3MBTL1
SCHEMBL9814804 0.91 ALDH1A1 (0.33) ALDH1A1L3MBTL1
SCHEMBL9814476 0.91 CHRM2 (0.34) ALDH1A1L3MBTL1
SCHEMBL9814581 0.89 CHRM2 (0.37) ALDH1A1L3MBTL1
SCHEMBL9814488 0.89 CHRM2 (0.37) ALDH1A1L3MBTL1
SCHEMBL9814784 0.89 CHRM2 (0.37) ALDH1A1L3MBTL1
SCHEMBL9814559 0.88 ALDH1A1 (0.35) ALDH1A1L3MBTL1
SCHEMBL9292989 0.80
SCHEMBL9293196 0.80 CXCR4 (0.39) ALDH1A1
SCHEMBL9292353 0.78 ALDH1A1 (0.38) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0290883-B1 MODIFIED DIENE POLYMER RUBBERS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-09-18 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