⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3083581 | 0.76 | — | — | |
| SCHEMBL19663841 | 0.74 | — | — | |
| SCHEMBL29282729 | 0.72 | — | — | |
| SCHEMBL6556580 | 0.70 | — | — | |
| SCHEMBL205741 | 0.69 | — | — | |
| SCHEMBL9203532 | 0.69 | EPHX1 (0.33) | — | |
| SCHEMBL5695559 | 0.67 | — | — | |
| Methane SCHEMBL28123816 | 0.67 | — | — | |
| SCHEMBL4574691 | 0.65 | — | — | |
| SCHEMBL5477482 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4933336-A | Thiadiazinone, oxadiazinone and triazinone derivatives, and their use for treating acute or chronic heart disease | LABORATOIRES SOBIO S.A. (FR) | 1990-06-12 | — | — | US | disclosed |
| EP-0303418-A2 | Substituted indolones, useful in the treatment of heart or asthmatic diseases | SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) | 1989-02-15 | — | — | EP | disclosed |