⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7752431 | 0.72 | HTR2A (0.33) | — | |
| SCHEMBL154015 | 0.69 | — | — | |
| SCHEMBL6726221 | 0.69 | — | — | |
| SCHEMBL2049371 | 0.69 | — | — | |
| SCHEMBL17611018 | 0.69 | — | — | |
| SCHEMBL7217052 | 0.69 | — | — | |
| SCHEMBL9714698 | 0.69 | HTR2A (0.36) | — | |
| SCHEMBL23451814 | 0.67 | — | — | |
| SCHEMBL5596673 | 0.67 | — | — | |
| SCHEMBL28387067 | 0.67 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1648426-B1 | BENZIMIDAZOLE DERIVATIVES AND THEIR USE AS PROTEIN KINASES INHIBITORS | ASTEX THERAPEUTICS LTD (GB) | 2014-01-08 | — | — | EP | disclosed |
| EP-0099329-B1 | DITHIO COMPOUNDS, PHARMACEUTICAL PREPARATIONS CONTAINING THEM AND THEIR USE | Zyma SA (CH) | 1990-10-31 | — | — | EP | disclosed |
| US-4818765-A | TREATING LIVER, RESPIRATORY TRACT, VASCULAR DISORDERS | CIBA-GEIGY CORPORATION (US) | 1989-04-04 | — | — | US | disclosed |
| EP-0091057-B1 | 5,6-DIHYDRO-11-ALKYLENE-MOPHANTRIDIN-6-ONES, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | BASF Aktiengesellschaft (DE) | 1986-06-11 | — | — | EP | disclosed |
| EP-0099329-A1 | Dithio compounds, pharmaceutical preparations containing them and their use | Zyma SA (CH) | 1984-01-25 | — | — | EP | disclosed |
| US-4347182-A | Preparation of penicillanic acid derivatives | BEECHAM GROUP LIMITED (GB) | 1982-08-31 | — | — | US | disclosed |