⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6603658 | 1.00 | — | — | |
| SCHEMBL18627219 | 0.83 | — | — | |
| SCHEMBL13328389 | 0.78 | — | — | |
| SCHEMBL6600892 | 0.72 | PTPN1 (0.31) | — | |
| SCHEMBL6600888 | 0.72 | PTPN1 (0.31) | — | |
| SCHEMBL9906041 | 0.66 | — | — | |
| SCHEMBL13328384 | 0.63 | — | — | |
| SCHEMBL13328392 | 0.62 | KDM4E (0.30) | — | |
| SCHEMBL12417834 | 0.61 | — | — | |
| SCHEMBL9906040 | 0.60 | ALDH1A1 (0.43) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1403253-A1 | NOVEL HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF | Kyoto Pharmaceutical Industries, Ltd. (JP) | 2004-03-31 | — | — | EP | disclosed |