⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27657233 | 0.70 | — | — | |
| SCHEMBL251080 | 0.64 | — | — | |
| SCHEMBL676019 | 0.64 | — | — | |
| SCHEMBL1301929 | 0.64 | — | — | |
| SCHEMBL5318734 | 0.64 | — | — | |
| Nitrous Acid SCHEMBL21951221 | 0.57 | — | — | |
| Nitrous Acid SCHEMBL11682170 | 0.53 | — | — | |
| SCHEMBL5617032 | 0.53 | — | — | |
| N-Nitrosodimethylamine SCHEMBL4637228 | 0.50 | ALDH1A1 (1.00) | — | |
| Nitrous Acid SCHEMBL8586018 | 0.50 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2001065935-A1 | KIDNEY PERFUSION SOLUTION CONTAINING NITRIC OXIDE DONOR | VODOVOTZ YORAM (US) | 2001-09-13 | — | — | WO | claimed |
| EP-2637649-A2 | COMPOUNDS AND METHODS FOR TREATING PAIN | Akron Molecules GmbH (AT) | 2013-09-18 | — | — | EP | disclosed |
| WO-2012062925-A2 | COMPOUNDS AND METHODS FOR TREATING PAIN | AKRON MOLECULES GMBH (AT) | 2012-05-18 | — | — | WO | disclosed |