⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11110195 | 1.00 | — | — | |
| SCHEMBL681011 | 0.97 | — | — | |
| SCHEMBL279962 | 0.97 | — | — | |
| SCHEMBL681012 | 0.97 | — | — | |
| Methyl Alcohol SCHEMBL2014925 | 0.93 | — | — | |
| SCHEMBL12560977 | 0.76 | — | — | |
| SCHEMBL1942945 | 0.76 | — | — | |
| SCHEMBL883819 | 0.76 | — | — | |
| SCHEMBL1075115 | 0.73 | — | — | |
| SCHEMBL295715 | 0.73 | — | — |
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-0030351-B1 | ERGOLINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC COMPOSITION CONTAINING THEM | FARMITALIA CARLO ERBA S.p.A. (IT) | 1984-08-08 | — | — | EP | disclosed |
| US-4382940-A | ANTIDEPRESSANTS, TRANQUILLIZERS, NEUROLENTIC AGENTS, HORMONE INHIB | FARMITALIA CARLO ERBA S.P.A. (IT) | 1983-05-10 | — | — | US | disclosed |
| EP-0030351-A2 | Ergoline derivatives, their preparation and therapeutic composition containing them | FARMITALIA CARLO ERBA S.p.A. (IT) | 1981-06-17 | — | — | EP | disclosed |