⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1060179 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL10688336 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL6618909 | 0.69 | — | — | |
| SCHEMBL13495327 | 0.67 | — | — | |
| SCHEMBL17627068 | 0.67 | — | — | |
| SCHEMBL64373 | 0.67 | — | — | |
| SCHEMBL17293092 | 0.67 | — | — | |
| SCHEMBL2173940 | 0.63 | — | — | |
| SCHEMBL13884660 | 0.63 | — | — | |
| SCHEMBL1269137 | 0.62 | ALDH1A1 (0.32) | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020114474-A1 | HETEROCYCLIC COMPOUND, APPLICATION THEREOF AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | 苏州信诺维医药科技有限公司 | 2020-06-11 | — | — | WO | disclosed |
| EP-2401256-B1 | Compounds as bradykinin B1 antagonists | BOEHRINGER INGELHEIM INT (DE) | 2013-04-17 | — | — | EP | disclosed |