⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL319578 | 0.98 | — | — | |
| Benzene SCHEMBL28241885 | 0.91 | CTSC (0.37) | — | |
| SCHEMBL8018180 | 0.80 | — | — | |
| SCHEMBL319940 | 0.79 | — | — | |
| SCHEMBL27612836 | 0.79 | ALOX15 (0.32) | — | |
| Carbamic Acid SCHEMBL30075069 | 0.79 | SLC1A2 (0.34) | — | |
| SCHEMBL3917719 | 0.76 | SLC7A5 (0.39) | — | |
| SCHEMBL319447 | 0.76 | CA2 (0.50) | — | |
| SCHEMBL19420086 | 0.75 | — | — | |
| SCHEMBL6594464 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0008802-B1 | ERGOLINE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC COMPOSITION CONTAINING THEM | FARMITALIA CARLO ERBA S.p.A. (IT) | 1982-07-21 | — | — | EP | disclosed |
| US-4321381-A | Ergot derivatives | FARMITALIA CARLO ERBA S.P.A. (IT) | 1982-03-23 | — | — | US | disclosed |
| US-4252941-A | HYPOTENSIVE AGENTS, ANTIPROLACTINIC AGENTS | FARMITALIA CARLO ERBA S.P.A. (IT) | 1981-02-24 | — | — | US | disclosed |
| EP-0008802-A1 | Ergoline derivatives, their preparation and therapeutic composition containing them | FARMITALIA CARLO ERBA S.p.A. (IT) | 1980-03-19 | — | — | EP | disclosed |