⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20039935 | 0.62 | — | — | |
| SCHEMBL21100360 | 0.58 | — | — | |
| SCHEMBL669431 | 0.54 | — | — | |
| SCHEMBL19936261 | 0.53 | — | — | |
| SCHEMBL31287303 | 0.52 | — | — | |
| SCHEMBL4552477 | 0.51 | — | — | |
| SCHEMBL5158080 | 0.47 | — | — | |
| Piperazine SCHEMBL5904126 | 0.47 | HIF1A (0.43) | — | |
| SCHEMBL24916721 | 0.46 | — | — | |
| SCHEMBL11768224 | 0.44 | PNMT (0.39) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6713634-B2 | SEROTONIN RECEPTOR ANTAGONIST | DAIICHI SUNTORY PHARMA CO., LTD. (JP) | 2004-03-30 | — | — | US | disclosed |
| US-20030166926-A1 | Pyrroloazepine derivatives | SUNTORY LIMITED (JP) | 2003-09-04 | — | — | US | disclosed |
| EP-0915881-B1 | PYRROLOAZEPINE COMPOUNDS | SUNTORY LTD (JP) | 2003-01-08 | — | — | EP | disclosed |
| US-6489473-B2 | FOR THERAPY AND PROPHYLAXIS OF ISCHEMIC HEART DISEASES SUCH AS ANGINA PECTORIS, ARRHYTHMIA, MYOCARDIAL INFARCTION, CONGESTIVE HEART FAILURE, CEREBRAL INFARCTION AND CEREBRAL SEQUELAE AFTER SUBARACHNOID HEMORRHAGE, HYPERTENSION | SUNTORY LIMITED (JP) | 2002-12-03 | — | — | US | disclosed |
| US-20020072515-A1 | Pyrroloazepine derivatives | SUNTORY LIMITED (JP) | 2002-06-13 | — | — | US | disclosed |
| EP-0807632-B1 | PYRROLOAZEPINE DERIVATIVES | SUNTORY LTD (JP) | 2002-04-17 | — | — | EP | disclosed |
| US-6258805-B1 | TREATMENT OF BRAIN DISORDERS AND HYPERTENSION | SUNTORY LIMITED (JP) | 2001-07-10 | — | — | US | disclosed |
| US-6211362-B1 | CHEMICAL INTERMEDIATE FOR DRUGS | SUNTORY LIMITED (JP) | 2001-04-03 | — | — | US | disclosed |
| US-6187772-B1 | Pyrroloazepine compounds | SUNTORY LIMITED (JP) | 2001-02-13 | — | — | US | disclosed |
| EP-0915881-A1 | PYRROLOAZEPINE COMPOUNDS | SUNTORY LIMITED (JP) | 1999-05-19 | — | — | EP | disclosed |
| WO-1998041527-A1 | PYRROLOAZEPINE COMPOUNDS | SUNTORY LIMITED (JP) | 1998-09-24 | — | — | WO | disclosed |
| EP-0807632-A1 | PYRROLOAZEPINE DERIVATIVES | SUNTORY LIMITED (JP) | 1997-11-19 | — | — | EP | disclosed |