SCHEMBL8587453

SCHEMBL8587453

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

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CPA1 P15085 1/20 0.38
PTGS2 P35354 1/20 0.32
ALDH1A1 P00352 2/20 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
SCHEMBL11875036 0.82 CPA1 (0.44) CPA1ALDH1A1
SCHEMBL12433420 0.77 ALDH1A1 (0.42) CPA1PTGS2ALDH1A1
SCHEMBL1116709 0.76 CPA1 (0.55) CPA1ALDH1A1
SCHEMBL15570793 0.74
SCHEMBL8386443 0.74
SCHEMBL8259161 0.74
SCHEMBL15835697 0.74 LPAR5 (0.36)
SCHEMBL6354071 0.73
SCHEMBL2728056 0.73 ALDH1A1 (0.42) PTGS2ALDH1A1
Nitric Acid SCHEMBL8587449 0.72 CPA1 (0.52) CPA1ALDH1A1

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-5952375-A NEURAMINIDASE INHIBITOR FOR INHIBITION OF VIRUSES, IN PARTICULAR INFLUENZA VIRUSES; FDA ORANGE BOOK LISTED PATENT FOR OSELTAMIVIR PHOSPHATE GILEAD SCIENCES, INC. (US) 1999-09-14 US disclosed
US-5763483-A NEURAMINIDASE INHIBITOR TREATING INFLUENZA VIRUS INFECTION; OSELTAMIVIR OR THE FREE ACID THEREOF; FDA ORANGE BOOK LISTED PATENT FOR OSELTAMIVIR PHOSPHATE GILEAD SCIENCES, INC. (US) 1998-06-09 US disclosed