⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL791667 | 0.75 | — | — | |
| SCHEMBL840994 | 0.70 | NQO1 (0.37) | — | |
| SCHEMBL9999337 | 0.69 | — | — | |
| SCHEMBL1013399 | 0.69 | — | — | |
| SCHEMBL12090870 | 0.68 | TYR (0.41) | — | |
| SCHEMBL10197303 | 0.68 | ALOX15 (0.38) | — | |
| SCHEMBL4141025 | 0.67 | TYR (0.64) | — | |
| SCHEMBL10032704 | 0.67 | KDM4E (0.42) | — | |
| SCHEMBL14827195 | 0.67 | TYR (0.39) | — | |
| SCHEMBL13343569 | 0.67 | TYR (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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2022793-B1 | NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF | TOYAMA CHEMICAL CO LTD (JP) | 2014-06-04 | — | — | EP | disclosed |
| US-8367831-B2 | Heterocyclic compound or salt thereof and intermediate thereof | TOYAMA CHEMICAL CO., LTD. (JP) | 2013-02-05 | — | — | US | disclosed |
| US-20120226035-A1 | NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2012-09-06 | — | — | US | disclosed |
| US-8211908-B2 | Heterocyclic compound or salt thereof and intermediate thereof | TOYAMA CHEMICAL CO., LTD. (JP) | 2012-07-03 | — | — | US | disclosed |
| US-20090198063-A1 | NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF | TOYAMA CHEMICAL CO., LTD. (JP) | 2009-08-06 | — | — | US | disclosed |
| EP-2022793-A1 | NOVEL HETEROCYCLIC COMPOUND OR SALT THEREOF AND INTERMEDIATE THEREOF | TOYAMA CHEMICAL CO., LTD. (JP) | 2009-02-11 | — | — | EP | disclosed |