⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8617634 | 1.00 | — | — | |
| SCHEMBL8550794 | 0.93 | — | — | |
| SCHEMBL8623362 | 0.89 | SPR (0.30) | — | |
| SCHEMBL8623357 | 0.89 | SPR (0.30) | — | |
| SCHEMBL8460524 | 0.89 | ALDH1A1 (0.31) | — | |
| SCHEMBL8461943 | 0.89 | ALDH1A1 (0.31) | — | |
| SCHEMBL8460542 | 0.83 | GAA (0.32) | — | |
| SCHEMBL8460540 | 0.83 | GAA (0.32) | — | |
| SCHEMBL8459245 | 0.83 | SPR (0.31) | — | |
| SCHEMBL8459247 | 0.83 | SPR (0.31) | — |
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-5849926-A | Pyrazole derivatives and herbicides containing the same | IDEMITSU KOSAN CO., LTD. (JP) | 1998-12-15 | — | — | US | disclosed |
| EP-0728756-A1 | PYRAZOLE DERIVATIVES AND HERBICIDE CONTAINING THE SAME | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1996-08-28 | — | — | EP | disclosed |