⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3648065 | 1.00 | — | — | |
| Water SCHEMBL647336 | 1.00 | — | — | |
| SCHEMBL331 | 1.00 | — | — | |
| SCHEMBL27509800 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL7121633 | 0.94 | — | — | |
| SCHEMBL28305381 | 0.94 | — | — | |
| SCHEMBL1567 | 0.93 | — | — | |
| Water SCHEMBL645100 | 0.93 | — | — | |
| Hydrazine SCHEMBL6324276 | 0.88 | — | — | |
| Cyanide SCHEMBL2337100 | 0.88 | — | — |
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 |