SCHEMBL4600069

SCHEMBL4600069

NC1=CC([N+](=O)[O-])=CC[CH]1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL378762 0.80
SCHEMBL9295399 0.75 ALDH1A1 (0.34) ALDH1A1
SCHEMBL9936989 0.75 ALDH1A1 (0.30) ALDH1A1
SCHEMBL6823381 0.75 ACHE (0.31) ALDH1A1
SCHEMBL13874453 0.71 ALDH1A1 (0.31) ALDH1A1
SCHEMBL4279071 0.71 CASP6 (0.34) ALDH1A1
SCHEMBL15286495 0.71 POLB (0.32)
SCHEMBL15288773 0.71
SCHEMBL4272720 0.71 VCAM1 (0.33)
SCHEMBL11194367 0.67 ALDH1A1 (0.30) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP claimed
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP claimed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO claimed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO claimed
EP-1981831-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF Vaidya, Niteen A. (US) 2008-10-22 EP disclosed
EP-1910320-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF Mitsubishi Tanabe Pharma Corporation (JP) 2008-04-16 EP disclosed
WO-2007092264-A2 KIT FOR AUTOMATED RESOLVING AGENT SELECTION AND METHOD THEREOF VAIDYA NITEEN A (US) 2007-08-16 WO disclosed
WO-2007011065-A2 INTERMEDIATE COMPOUND FOR SYNTHESIZING PHARMACEUTICAL AGENT AND PRODUCTION METHOD THEREOF MITSUBISHI TANABE PHARMA CORPORATION (JP) 2007-01-25 WO disclosed
EP-1644384-A2 PROCESS AND INTERMEDIATES FOR SYNTHESIS ENTECAVIR Bristol-Myers Squibb Company (US) 2006-04-12 EP disclosed
WO-2004052310-A2 PROCESS AND INTERMEDIATES FOR SYNTHESIS ENTECAVIR BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-24 WO disclosed
EP-1430019-A1 SPHINGOLIPIDS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2004-06-23 EP disclosed
WO-2003027058-A1 SPHINGOLIPIDS YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM (IL) 2003-04-03 WO disclosed