⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8613646 | 0.87 | — | — | |
| SCHEMBL8613948 | 0.83 | — | — | |
| SCHEMBL7669992 | 0.81 | — | — | |
| SCHEMBL8613409 | 0.80 | NPC1 (0.31) | — | |
| SCHEMBL8614824 | 0.76 | — | — | |
| SCHEMBL8615407 | 0.74 | PDE4B (0.31) | — | |
| SCHEMBL8460543 | 0.70 | — | — | |
| SCHEMBL8460549 | 0.70 | — | — | |
| SCHEMBL8619577 | 0.69 | — | — | |
| SCHEMBL7669017 | 0.68 | — | — |
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 3 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 |
| US-5756759-A | HERBICIDES | IDEMITSU KOSAN CO., LTD. (JP) | 1998-05-26 | — | — | US | disclosed |
| EP-0728756-A1 | PYRAZOLE DERIVATIVES AND HERBICIDE CONTAINING THE SAME | IDEMITSU KOSAN COMPANY LIMITED (JP) | 1996-08-28 | — | — | EP | disclosed |