⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8129456 | 0.86 | — | — | |
| SCHEMBL8122941 | 0.83 | GCK (0.31) | — | |
| SCHEMBL8138238 | 0.82 | CYP4F2 (0.33) | — | |
| SCHEMBL8126451 | 0.80 | RAB9A (0.33) | — | |
| SCHEMBL8122957 | 0.77 | — | — | |
| SCHEMBL8346483 | 0.75 | GCK (0.32) | — | |
| SCHEMBL8564605 | 0.68 | — | — | |
| SCHEMBL8126789 | 0.68 | KMT2A (0.33) | — | |
| SCHEMBL8866957 | 0.68 | GCK (0.30) | — | |
| SCHEMBL8138241 | 0.66 | CYP4F2 (0.34) | — |
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 |