⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5218740 | 0.79 | MEN1 (0.35) | — | |
| SCHEMBL5218731 | 0.79 | MEN1 (0.35) | — | |
| SCHEMBL18294545 | 0.79 | MEN1 (0.35) | — | |
| SCHEMBL24671886 | 0.76 | ATF4 (0.38) | — | |
| SCHEMBL29059882 | 0.76 | ATF4 (0.38) | — | |
| SCHEMBL5211003 | 0.69 | PTGS1 (0.34) | — | |
| SCHEMBL5210998 | 0.69 | PTGS1 (0.34) | — | |
| SCHEMBL9180517 | 0.68 | — | — | |
| SCHEMBL5211968 | 0.68 | PTGS1 (0.33) | — | |
| SCHEMBL5211959 | 0.68 | PTGS1 (0.33) | — |
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-7205302-B2 | Anticoagulants; antilipemic agents; cardiovascular disorders | NIPPON SHINYAKU CO., LTD. (JP) | 2007-04-17 | — | — | US | disclosed |
| EP-1400518-B1 | HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES | NIPPON SHINYAKU CO LTD (JP) | 2007-01-17 | — | — | EP | disclosed |
| US-20040102436-A1 | Heterocyclic compound derivatives and medicines | NIPPON SHINYAKU CO., LTD. (JP) | 2004-05-27 | — | — | US | disclosed |
| EP-1400518-A1 | HETEROCYCLIC COMPOUND DERIVATIVES AND MEDICINES | Nippon Shinyaku Co., Ltd. (JP) | 2004-03-24 | — | — | EP | disclosed |