⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8548158 | 1.00 | — | — | |
| SCHEMBL8543696 | 0.87 | — | — | |
| SCHEMBL8543693 | 0.87 | — | — | |
| SCHEMBL8549360 | 0.82 | SPR (0.31) | — | |
| SCHEMBL8549357 | 0.82 | SPR (0.31) | — | |
| SCHEMBL8550794 | 0.82 | — | — | |
| SCHEMBL8545955 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL8545957 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL8617639 | 0.76 | — | — | |
| SCHEMBL8617634 | 0.76 | — | — |
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 |