⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7408608 | 0.79 | CA1 (0.32) | — | |
| SCHEMBL5286240 | 0.73 | ACHE (0.40) | — | |
| SCHEMBL12168594 | 0.71 | TAAR1 (0.44) | — | |
| SCHEMBL1128391 | 0.71 | MMP2 (0.41) | — | |
| SCHEMBL17625233 | 0.68 | TSHR (0.41) | — | |
| SCHEMBL1803971 | 0.68 | ESR1 (0.32) | — | |
| SCHEMBL3815844 | 0.65 | — | — | |
| SCHEMBL17625239 | 0.65 | TDP1 (0.36) | — | |
| SCHEMBL17625247 | 0.64 | NAAA (0.34) | — | |
| SCHEMBL17481953 | 0.64 | CA2 (0.50) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8551999-B2 | Heterocyclic compound and pharmaceutical composition thereof | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2013-10-08 | — | — | US | disclosed |
| EP-2207773-B1 | HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF | OTSUKA PHARMA CO LTD (JP) | 2012-07-11 | — | — | EP | disclosed |
| US-20100261720-A1 | HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2010-10-14 | — | — | US | disclosed |
| EP-2207773-A2 | HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF | Otsuka Pharmaceutical Co., Ltd. (JP) | 2010-07-21 | — | — | EP | disclosed |
| WO-2009057811-A2 | HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION THEREOF | OTSUKA PHARMACEUTICAL CO., LTD. (JP) | 2009-05-07 | — | — | WO | disclosed |