⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14446948 | 0.55 | — | — | |
| SCHEMBL2107618 | 0.53 | TSHR (0.32) | — | |
| SCHEMBL10830637 | 0.53 | TSHR (0.32) | — | |
| SCHEMBL992414 | 0.53 | — | — | |
| SCHEMBL14907243 | 0.53 | — | — | |
| SCHEMBL6592469 | 0.53 | — | — | |
| SCHEMBL6467970 | 0.51 | POLB (0.38) | — | |
| SCHEMBL122515 | 0.50 | — | — | |
| SCHEMBL2999710 | 0.49 | TSHR (0.31) | — | |
| Dimethylbarbiturate SCHEMBL31271990 | 0.47 | LMNA (0.46) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0280224-B1 | Substituted 3H-indoles, process for their preparation and medicines containing them | BOEHRINGER MANNHEIM GMBH (DE) | 1994-06-01 | — | — | EP | claimed |
| EP-0223937-B1 | INDOLES SUBSTITUTED WITH HETEROCYCLES, INTERMEDIATES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS | Roche Diagnostics GmbH (DE) | 1992-03-18 | — | — | EP | claimed |
| US-4851406-A | CARDIOVASCULAR DISORDERS, HYPOTENSIVE | BOEHRINGER MANNHEIM GMBH (DE) | 1989-07-25 | — | — | US | claimed |
| EP-0223937-A1 | Indoles substituted with heterocycles, intermediates, process for their preparation and medicaments | Roche Diagnostics GmbH (DE) | 1987-06-03 | — | — | EP | claimed |
| EP-0280224-B1 | Substituted 3H-indoles, process for their preparation and medicines containing them | BOEHRINGER MANNHEIM GMBH (DE) | 1994-06-01 | — | — | EP | disclosed |
| EP-0223937-B1 | INDOLES SUBSTITUTED WITH HETEROCYCLES, INTERMEDIATES, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS | Roche Diagnostics GmbH (DE) | 1992-03-18 | — | — | EP | disclosed |
| US-4925845-A | HYPOTENSIVE AGENTS | BOEHRINGER MANNHEIM GMBH (DE) | 1990-05-15 | — | — | US | disclosed |
| EP-0280224-A2 | Substituted 3H-indoles, process for their preparation and medicines containing them | Roche Diagnostics GmbH (DE) | 1988-08-31 | — | — | EP | disclosed |