⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL450009 | 0.68 | — | — | |
| SCHEMBL452297 | 0.66 | — | — | |
| SCHEMBL1289407 | 0.61 | ALDH1A1 (0.32) | — | |
| SCHEMBL5670418 | 0.61 | — | — | |
| SCHEMBL5962534 | 0.61 | — | — | |
| SCHEMBL9988092 | 0.60 | ALDH1A1 (0.32) | — | |
| SCHEMBL9517109 | 0.58 | — | — | |
| SCHEMBL415525 | 0.58 | ALDH1A1 (0.32) | — | |
| SCHEMBL19337820 | 0.57 | CYP2C9 (0.32) | — | |
| SCHEMBL10625582 | 0.57 | — | — |
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 3 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 |