⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8133686 | 0.89 | — | — | |
| SCHEMBL8132178 | 0.73 | KDM4E (0.33) | — | |
| SCHEMBL6725585 | 0.66 | KDM4E (0.31) | — | |
| SCHEMBL8122612 | 0.65 | MEN1 (0.33) | — | |
| SCHEMBL6723904 | 0.62 | KDM4E (0.32) | — | |
| SCHEMBL8127336 | 0.61 | MAOB (0.35) | — | |
| SCHEMBL8871670 | 0.60 | GAA (0.31) | — | |
| SCHEMBL8135015 | 0.60 | NPSR1 (0.37) | — | |
| SCHEMBL8134513 | 0.60 | KDM4E (0.33) | — | |
| SCHEMBL6726080 | 0.56 | NPC1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6159904-A | Pyrazole derivatives | IDEMITSU KOSAN CO., LTD. (JP) | 2000-12-12 | — | — | US | disclosed |
| EP-0970956-A1 | PYRAZOLE DERIVATIVES | IDEMITSU KOSAN COMPANY LIMITED (JP) | 2000-01-12 | — | — | EP | disclosed |