⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3373125 | 0.90 | MAPT (0.35) | — | |
| SCHEMBL3374354 | 0.72 | HTT (0.30) | — | |
| SCHEMBL3373687 | 0.72 | MAPT (0.33) | — | |
| SCHEMBL6791276 | 0.70 | MAPT (0.35) | — | |
| SCHEMBL4763914 | 0.69 | MAPT (0.34) | — | |
| SCHEMBL4723217 | 0.69 | DNM1 (0.36) | — | |
| SCHEMBL16450380 | 0.68 | KDM4E (0.40) | — | |
| SCHEMBL4130557 | 0.68 | MAPT (0.66) | — | |
| SCHEMBL589498 | 0.65 | — | — | |
| SCHEMBL16211974 | 0.64 | DNM1 (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100324091-A1 | Pyrazolone Derivative | KOWA COMPANY, LTD. (JP) | 2010-12-23 | — | — | US | disclosed |
| EP-2172458-A1 | PYRAZOLONE DERIVATIVE | Kowa Company, Ltd. (JP) | 2010-04-07 | — | — | EP | disclosed |