⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL756797 | 0.79 | — | — | |
| SCHEMBL5028806 | 0.78 | — | — | |
| SCHEMBL15925679 | 0.78 | — | — | |
| SCHEMBL9258508 | 0.78 | — | — | |
| SCHEMBL5945110 | 0.67 | EPHX1 (0.39) | — | |
| SCHEMBL9253572 | 0.65 | ADH1B (0.33) | — | |
| SCHEMBL3437284 | 0.65 | — | — | |
| SCHEMBL21583714 | 0.63 | — | — | |
| SCHEMBL5026956 | 0.63 | — | — | |
| SCHEMBL19245105 | 0.63 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1902829-B1 | THREE-DIMENSIONAL SHAPED ITEM WITH SMOOTHED MOLDING END FACE | CMET INC (JP) | 2015-04-08 | — | — | EP | disclosed |
| EP-1902829-A1 | THREE-DIMENSIONAL SHAPED ITEM WITH SMOOTHED MOLDING END FACE | Cmet Inc. (JP) | 2008-03-26 | — | — | EP | disclosed |