⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21800471 | 0.85 | — | — | |
| SCHEMBL29732375 | 0.76 | — | — | |
| SCHEMBL11486733 | 0.68 | SIGMAR1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL1653598 | 0.66 | AOC1 (0.31) | — | |
| SCHEMBL9199943 | 0.64 | — | — | |
| SCHEMBL2119469 | 0.64 | — | — | |
| SCHEMBL15392194 | 0.61 | — | — | |
| SCHEMBL15056158 | 0.59 | GAA (0.31) | — | |
| SCHEMBL29365256 | 0.59 | SIGMAR1 (0.38) | — | |
| SCHEMBL4538757 | 0.58 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0107930-B1 | FUSED AROMATIC OXAZEPINONES AND SULPHUR ANALOGUES THEREOF AND THEIR PREPARATION AND USE IN COUNTERACTING HISTAMINE | A.H. ROBINS COMPANY, INCORPORATED (a Delaware corporation) (US) | 1990-11-28 | — | — | EP | claimed |