⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5853534 | 1.00 | — | — | |
| SCHEMBL5852696 | 0.89 | KDM4E (0.32) | — | |
| SCHEMBL5852692 | 0.89 | KDM4E (0.32) | — | |
| SCHEMBL5851779 | 0.83 | TDP1 (0.36) | — | |
| SCHEMBL7001206 | 0.76 | TDP1 (0.44) | — | |
| SCHEMBL7001209 | 0.76 | TDP1 (0.44) | — | |
| SCHEMBL5853519 | 0.76 | KMT2A (0.37) | — | |
| SCHEMBL5851434 | 0.76 | DRD2 (0.47) | — | |
| SCHEMBL5851430 | 0.76 | DRD2 (0.47) | — | |
| SCHEMBL7107985 | 0.73 | HTR7 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7057036-B2 | Pyrrolothiazine and pyrrolothiazepine compounds having serotonin-2 receptor antagonistic and alpha-1-blocking action | DAIICHI SUNTORY PHARMA CO., LTD. (JP) | 2006-06-06 | — | — | US | disclosed |
| US-20050038242-A2 | PYRROLOTHIAZINE AND PYRROLOTHIAZEPHINE COMPOUNDS HAVING SEROTONIN-2 RECEPTOR ANTAGONISTIC AND ALPHA-1-BLOCKING ACTION | DAIICHI SUNTORY PHARMA CO., LTD. (JP) | 2005-02-17 | — | — | US | disclosed |
| US-20040127705-A1 | Pyrrolothiazine and pyrrolothiazepine compounds having serotonin-2 receptor antagonistic and alpha-1-blocking action | DAIICHI PHARMACEUTICAL CO., LTD. (JP) | 2004-07-01 | — | — | US | disclosed |
| US-6624314-B2 | A pyrrolesulfonamide derivative or salt, useful for treating circulatory diseases such as ischemic heart diseases, cerebrovascular disturbances and peripheral circulatory disturtances | DAIICHI SUNTORY PHARMA CO., LTD. (JP) | 2003-09-23 | — | — | US | disclosed |
| US-20020040017-A1 | Pyrrolothiazine and pyrrolothiazepine compounds having serotonin-2 receptor antagonistic and alpha-1-blocking action | SUNTORY LIMITED (JP) | 2002-04-04 | — | — | US | disclosed |
| US-6271223-B1 | CARDIOVASCULAR DISORDERS | SUNTORY LIMITED (JP) | 2001-08-07 | — | — | US | disclosed |