⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL335136 | 0.91 | NOS1 (0.31) | — | |
| SCHEMBL9366367 | 0.79 | — | — | |
| SCHEMBL28949298 | 0.79 | NOS1 (0.31) | — | |
| SCHEMBL5644797 | 0.78 | — | — | |
| SCHEMBL1076766 | 0.78 | USP2 (0.39) | — | |
| SCHEMBL4699779 | 0.77 | PRKCA (0.30) | — | |
| SCHEMBL5641549 | 0.76 | — | — | |
| SCHEMBL4700107 | 0.75 | — | — | |
| SCHEMBL27554171 | 0.74 | — | — | |
| SCHEMBL2146900 | 0.74 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107567438-B | Riluzole prodrugs and uses thereof | 拜尔哈文制药股份有限公司 | 2021-06-29 | — | — | CN | disclosed |
| US-20040063643-A1 | Bombesin antagonists | PFIZER INC. | 2004-04-01 | — | — | US | disclosed |
| US-6211241-B1 | ANTIDEPRESSANTS, SLEEP AND EATING DISORDERS AND ANTIEPILEPTIC AGENTS | SYNAPTIC PHARMACEUTICAL CORPORATION | 2001-04-03 | — | — | US | disclosed |
| EP-0317959-A2 | Anti-ulcer composition | Okamoto, Shosuke (JP) | 1989-05-31 | — | — | EP | disclosed |