⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2558179 | 0.72 | — | — | |
| SCHEMBL1476251 | 0.68 | — | — | |
| SCHEMBL24469818 | 0.68 | — | — | |
| SCHEMBL687347 | 0.67 | — | — | |
| SCHEMBL11452922 | 0.67 | — | — | |
| SCHEMBL1155325 | 0.67 | — | — | |
| SCHEMBL10288511 | 0.67 | — | — | |
| SCHEMBL2490509 | 0.66 | TSHR (0.32) | — | |
| SCHEMBL28251648 | 0.65 | — | — | |
| SCHEMBL313236 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070197510-A1 | Nitriles and medicinal compositions containing the same as the active ingredient | ONO PHARMACEUTICAL CO., LTD. (JP) | 2007-08-23 | — | — | US | disclosed |
| EP-1724264-A1 | NITRILES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT | ONO PHARMACEUTICAL CO., LTD. (JP) | 2006-11-22 | — | — | EP | disclosed |
| EP-0297378-A2 | 2,5-Dihydropyrroles | NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) | 1989-01-04 | — | — | EP | disclosed |