⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29455183 | 0.72 | CA12 (0.32) | — | |
| SCHEMBL160279 | 0.72 | CA12 (0.32) | — | |
| SCHEMBL449368 | 0.71 | — | — | |
| Potassium SCHEMBL7583421 | 0.71 | CA12 (0.31) | — | |
| SCHEMBL3204788 | 0.63 | — | — | |
| SCHEMBL14844723 | 0.63 | — | — | |
| SCHEMBL4242922 | 0.61 | — | — | |
| SCHEMBL30413405 | 0.60 | — | — | |
| SCHEMBL1313792 | 0.60 | GRM5 (0.41) | — | |
| SCHEMBL13791237 | 0.60 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9206173-B2 | Heterocyclic compounds for the treatment of stress-related conditions | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2015-12-08 | — | — | US | disclosed |
| EP-2435046-B1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS | OTSUKA PHARMA CO LTD (JP) | 2013-09-04 | — | — | EP | disclosed |
| US-20120065189-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2012-03-15 | — | — | US | disclosed |
| WO-2010137738-A1 | HETEROCYCLIC COMPOUNDS FOR THE TREATMENT OF STRESS-RELATED CONDITIONS | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2010-12-02 | — | — | WO | disclosed |