⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8549146 | 1.00 | — | — | |
| SCHEMBL8545225 | 0.88 | — | — | |
| SCHEMBL8545222 | 0.88 | — | — | |
| SCHEMBL9253156 | 0.86 | KDM4E (0.30) | — | |
| SCHEMBL9253152 | 0.86 | KDM4E (0.30) | — | |
| SCHEMBL8548317 | 0.80 | POLB (0.31) | — | |
| SCHEMBL8308058 | 0.76 | VHL (0.34) | — | |
| SCHEMBL8616712 | 0.73 | MAPT (0.34) | — | |
| SCHEMBL8616714 | 0.73 | MAPT (0.34) | — | |
| SCHEMBL8872548 | 0.73 | — | — |
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-0818455-A1 | PYRAZOLE DERIVATIVES | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1998-01-14 | — | — | EP | disclosed |