⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6426373 | 0.86 | TUBB4A (0.32) | — | |
| SCHEMBL6428655 | 0.84 | TUBB4A (0.32) | — | |
| SCHEMBL6426324 | 0.84 | CTSL (0.33) | — | |
| SCHEMBL6426258 | 0.81 | RECQL (0.31) | — | |
| SCHEMBL6428672 | 0.81 | TP53 (0.34) | — | |
| SCHEMBL6427406 | 0.80 | ENPP2 (0.33) | — | |
| SCHEMBL6427278 | 0.79 | MAOA (0.32) | — | |
| SCHEMBL6426052 | 0.79 | NPC1 (0.32) | — | |
| SCHEMBL6425946 | 0.79 | ENPP2 (0.33) | — | |
| SCHEMBL6428560 | 0.77 | ENPP2 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20050261339-A1 | Pyrazole compound and medicinal composition containing the same | EISAI R&D MANAGEMENT CO., LTD. (JP) | 2005-11-24 | — | — | US | disclosed |