⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4060921 | 0.68 | — | — | |
| SCHEMBL8576550 | 0.62 | CDC25B (0.31) | — | |
| SCHEMBL181752 | 0.61 | USP2 (0.32) | — | |
| SCHEMBL8736208 | 0.59 | CDC25B (0.38) | — | |
| SCHEMBL4954688 | 0.58 | — | — | |
| SCHEMBL973342 | 0.58 | CDC25B (0.39) | — | |
| Hydrochloric Acid SCHEMBL10521474 | 0.57 | — | — | |
| SCHEMBL42667 | 0.57 | — | — | |
| SCHEMBL4981136 | 0.54 | CDC25B (0.42) | — | |
| SCHEMBL591093 | 0.54 | CDC25B (0.48) | — |
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-1093456-B1 | NAPHTHO- AND DIHYDROBENZO-THIOPHENE DERIVATIVES AS CYTOTOXIC ANTITUMOR AGENTS | UNIV NORTH CAROLINA (US) | 2003-12-17 | — | — | EP | disclosed |
| US-6337346-B1 | BENZODITHIOPHENE DERIVATIVES | UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL | 2002-01-08 | — | — | US | disclosed |
| EP-1093456-A2 | NAPHTHO- AND DIHYDROBENZO-THIOPHENE DERIVATIVES AS CYTOTOXIC ANTITUMOR AGENTS | UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 2001-04-25 | — | — | EP | disclosed |
| US-6174913-B1 | TREATING TUMOR BY ADMINISTERING COMPOUNDS E.G.:2-ACETYL-NAPHTHO(2,3-B)THIOPHENE-4,9-DIONE; 2,7-DIACETYL-NAPHTHO(2,3-B)THIOPHENE-4,9-DIONE | THE UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL | 2001-01-16 | — | — | US | disclosed |
| WO-1999062909-A9 | NAPHTHO- AND DIHYDROBENZO-THIOPHENE DERIVATIVES AS CYTOTOXIC ANTITUMOR AGENTS | UNIV NORTH CAROLINA (US) | 2000-04-27 | — | — | WO | disclosed |
| WO-1999062909-A2 | NAPHTHO- AND DIHYDROBENZO-THIOPHENE DERIVATIVES AS CYTOTOXIC ANTITUMOR AGENTS | UNIVERSITY OF NORTH CAROLINA AT CHAPEL HILL (US) | 1999-12-09 | — | — | WO | disclosed |
| EP-0646112-A4 | TERTIARY AND SECONDARY AMINES AS ALPHA-2 ANTAGONISTS AND SEROTONIN UPTAKE INHIBITORS. | ABBOTT LAB (US) | 1997-04-02 | — | — | EP | disclosed |
| EP-0646112-A1 | TERTIARY AND SECONDARY AMINES AS ALPHA-2 ANTAGONISTS AND SEROTONIN UPTAKE INHIBITORS | ABBOTT LABORATORIES (US) | 1995-04-05 | — | — | EP | disclosed |