⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL449987 | 0.80 | — | — | |
| SCHEMBL448701 | 0.77 | TYMP (0.36) | — | |
| SCHEMBL452496 | 0.75 | GPR84 (0.38) | — | |
| SCHEMBL121542 | 0.69 | — | — | |
| SCHEMBL452524 | 0.63 | — | — | |
| SCHEMBL149357 | 0.57 | — | — | |
| SCHEMBL906641 | 0.55 | — | — | |
| SCHEMBL11491375 | 0.54 | — | — | |
| SCHEMBL5512165 | 0.54 | — | — | |
| Barbituric Acid SCHEMBL247308 | 0.54 | HSD17B10 (0.44) | — |
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 |