⚠ 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 | |
|---|---|---|---|---|
| 2-Methylhistamine SCHEMBL624809 | 0.82 | — | — | |
| 2-Methylhistamine SCHEMBL2369590 | 0.80 | TDP1 (0.41) | — | |
| 2-Methylhistamine SCHEMBL29291045 | 0.80 | HRH4 (0.39) | — | |
| SCHEMBL6247431 | 0.80 | SMN1; SMN2 (0.33) | — | |
| SCHEMBL1534264 | 0.79 | HRH4 (0.37) | — | |
| SCHEMBL152067 | 0.78 | — | — | |
| SCHEMBL148931 | 0.76 | — | — | |
| SCHEMBL30586310 | 0.76 | SMN1; SMN2 (0.31) | — | |
| Iodide SCHEMBL632156 | 0.76 | — | — | |
| SCHEMBL9241041 | 0.76 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230287009-A1 | OXO-SUBSTITUTED COMPOUND | Sumitomo Pharma Co., Ltd. (JP) | 2023-09-14 | — | — | US | disclosed |
| US-11702431-B2 | Oxo-substituted compound | Sumitomo Pharma Co., Ltd. (JP) | 2023-07-18 | — | — | US | disclosed |
| EP-3510024-B1 | PYRIDYL SUBSTITUTED INDOLE COMPOUNDS | BRISTOL MYERS SQUIBB CO (US) | 2021-11-17 | — | — | EP | disclosed |
| EP-3400210-B1 | \"MULTI-TARGET\" COMPOUNDS WITH INHIBITORY ACTIVITY TOWARDS HISTONE DEACETYLASES AND TUBULIN POLYMERISATION, FOR USE IN THE TREATMENT OF CANCER | UNIV PARIS SACLAY (FR) | 2021-09-29 | — | — | EP | disclosed |
| WO-2016203112-A1 | SPIRO[CYCLOBUTANE-1,3'-INDOLIN]-2'-ONE DERIVATIVES AS BROMODOMAIN INHIBITORS | ORION CORPORATION (FI) | 2016-12-22 | — | — | WO | disclosed |
| US-8859768-B2 | Heteroaryls and uses thereof | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2014-10-14 | — | — | US | disclosed |
| US-20130165464-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-06-27 | — | — | US | disclosed |
| US-20130165483-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-06-27 | — | — | US | disclosed |
| US-20130165472-A1 | HETEROARYLS AND USES THEREOF | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2013-06-27 | — | — | US | disclosed |
| EP-2252372-A1 | 2-AMINOQUINOLINES | F. Hoffmann-La Roche AG (CH) | 2010-11-24 | — | — | EP | disclosed |
| WO-2009109502-A1 | 2-AMINOQUINOLINES | F. HOFFMANN-LA ROCHE AG (CH) | 2009-09-11 | — | — | WO | disclosed |
| US-20080051578-A1 | SUBSTITUTED BIARYLS, PROCESS FOR THEIR MANUFACTURE AND USE THEREOF AS MEDICAMENTS | DAHMANN GEORG | 2008-02-28 | — | — | US | disclosed |
| WO-2007025940-A1 | SUBSTITUTED BIARYLS AND THEIR USE AS FACTOR XA INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2007-03-08 | — | — | WO | disclosed |