⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2544686 | 1.00 | — | — | |
| SCHEMBL2544684 | 1.00 | — | — | |
| SCHEMBL575068 | 0.77 | ALDH1A1 (0.35) | — | |
| SCHEMBL6268471 | 0.77 | TDP1 (0.42) | — | |
| SCHEMBL23743752 | 0.76 | — | — | |
| SCHEMBL2539083 | 0.74 | — | — | |
| SCHEMBL2539080 | 0.74 | — | — | |
| SCHEMBL644043 | 0.71 | — | — | |
| SCHEMBL22228978 | 0.71 | — | — | |
| SCHEMBL9354654 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2560634-A1 | NITRIC OXIDE RELEASING PRODRUGS OF THERAPEUTIC AGENTS | Piramal Enterprises Limited (IN) | 2013-02-27 | — | — | EP | disclosed |
| WO-2011132171-A1 | NITRIC OXIDE RELEASING PRODRUGS OF THERAPEUTIC AGENTS | PIRAMAL LIFE SCIENCES LIMITED (IN) | 2011-10-27 | — | — | WO | disclosed |
| US-20110263526-A1 | Nitric Oxide Releasing Prodrugs of Therapeutic Agents | PIRAMAL LIFE SCIENCES LIMITED (IN) | 2011-10-27 | — | — | US | disclosed |