⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL2220993 | 0.83 | ALDH1A1 (0.62) | — | |
| SCHEMBL9803543 | 0.83 | ALDH1A1 (0.62) | — | |
| SCHEMBL13063096 | 0.80 | ALDH1A1 (0.52) | — | |
| SCHEMBL14573942 | 0.80 | ALDH1A1 (0.65) | — | |
| SCHEMBL4649499 | 0.80 | ALDH1A1 (0.52) | — | |
| SCHEMBL15868744 | 0.80 | ALDH1A1 (0.52) | — | |
| SCHEMBL10950356 | 0.79 | ALDH1A1 (0.56) | — | |
| SCHEMBL11820966 | 0.79 | — | — | |
| SCHEMBL2116285 | 0.79 | ALDH1A1 (0.56) | — | |
| SCHEMBL10936087 | 0.79 | ALDH1A1 (0.56) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1079823-A1 | COMPOSITIONS COMPRISING ORGANIC MONO- OR DINITRATE FOR TREATING IMPOTENCE | BAKER NORTON PHARMACEUTICALS, INC. (US) | 2001-03-07 | — | — | EP | claimed |
| US-6056966-A | ORGANIC MONO- OR DINITRATE IN A PHARMACEUTICALLY ACCEPTABLE TOPICAL OR PARENTERAL CARRIER | BAKER NORTON PHARMACEUTICALS, INC. (US) | 2000-05-02 | — | — | US | claimed |
| WO-1999059575-A1 | COMPOSITIONS COMPRISING ORGANIC MONO- OR DINITRATE FOR TREATING IMPOTENCE | BAKER NORTON PHARMACEUTICALS, INC. (US) | 1999-11-25 | — | — | WO | claimed |
| CN-1284922-C | Process for reducing pollutants from exhaust of diesel engine using water-diesel fuel and exhaust gas after-treatment combination | LUBRIZOL CORP (US) | 2006-11-15 | — | — | CN | disclosed |
| CN-1444691-A | Process for reducing pollutants from exhaust of diesel engine using water-diesel fuel and exhaust gas after-treatment combination | LUBRIZOL CORP (US) | 2003-09-24 | — | — | CN | disclosed |