⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8153801 | 0.78 | — | — | |
| SCHEMBL38303 | 0.76 | CYP3A4 (0.40) | — | |
| SCHEMBL2320012 | 0.72 | CYP3A4 (0.38) | — | |
| SCHEMBL3070925 | 0.70 | — | — | |
| SCHEMBL31162473 | 0.69 | CYP3A4 (0.73) | — | |
| SCHEMBL110655 | 0.69 | CYP3A4 (0.73) | — | |
| SCHEMBL15092 | 0.65 | CYP3A4 (1.00) | — | |
| Hexamethylbenzene SCHEMBL28101399 | 0.65 | CYP3A4 (0.74) | — | |
| SCHEMBL28106462 | 0.65 | — | — | |
| SCHEMBL1044718 | 0.64 | CYP3A4 (0.61) | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8871753-B2 | Macrocyclic compounds and their use as kinase inhibitors | INCYTE CORPORATION (US) | 2014-10-28 | — | — | US | disclosed |
| US-8541406-B2 | Thiadiazole derivatives for the treatment of neurodegenerative diseases | NV REMYND (BE) | 2013-09-24 | — | — | US | disclosed |
| CN-101784651-B | Structured soap compositions | RODIA ASIA PACIFIC PTE LTD | 2012-08-08 | — | — | CN | disclosed |
| WO-2011011494-A1 | IMIDAZOAZEPINONE COMPOUNDS | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2011-01-27 | — | — | WO | disclosed |
| EP-2274288-A2 | MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS | Incyte Corporation (US) | 2011-01-19 | — | — | EP | disclosed |
| US-20100261707-A9 | THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | NV REMYND (BE) | 2010-10-14 | — | — | US | disclosed |
| CN-101784651-A | Structurized soap composition | RODIA ASIA PACIFIC PTE LTD | 2010-07-21 | — | — | CN | disclosed |
| US-20090286778-A1 | MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS | INCYTE CORPORATION (US) | 2009-11-19 | — | — | US | disclosed |
| WO-2009132202-A2 | MACROCYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS | INCYTE CORPORATION (US) | 2009-10-29 | — | — | WO | disclosed |
| US-20090233911-A2 | THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | NV REMYND (BE) | 2009-09-17 | — | — | US | disclosed |
| US-20090054410-A1 | THIADIAZOLE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES | NV REMYND (BE) | 2009-02-26 | — | — | US | disclosed |