⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15893690 | 0.78 | — | — | |
| SCHEMBL454668 | 0.78 | — | — | |
| SCHEMBL20362237 | 0.78 | — | — | |
| SCHEMBL27485604 | 0.76 | — | — | |
| SCHEMBL3065351 | 0.75 | CA12 (0.56) | — | |
| SCHEMBL10782198 | 0.74 | CA1 (0.40) | — | |
| SCHEMBL27306760 | 0.74 | ALDH1A1 (0.54) | — | |
| SCHEMBL2286014 | 0.74 | — | — | |
| SCHEMBL15976371 | 0.73 | — | — | |
| SCHEMBL11801956 | 0.73 | CES2 (0.40) | — |
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 |