⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8332160 | 0.73 | — | — | |
| SCHEMBL635259 | 0.67 | — | — | |
| SCHEMBL88670 | 0.67 | — | — | |
| SCHEMBL11414387 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL3751771 | 0.65 | — | — | |
| SCHEMBL16611432 | 0.63 | — | — | |
| SCHEMBL16611436 | 0.63 | — | — | |
| SCHEMBL1774204 | 0.63 | — | — | |
| SCHEMBL20594572 | 0.62 | — | — | |
| SCHEMBL426925 | 0.60 | MAPT (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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5185025-A | SUBSTITUTED PYRAZOLES AND THEIR USE AS HERBICIDES | MONSANTO COMPANY (US) | 1993-02-09 | — | — | US | disclosed |
| US-5045106-A | 3-phenoxypyrazole | MONSANTO COMPANY (US) | 1991-09-03 | — | — | US | disclosed |
| US-4964895-A | Substituted 4-(4-nitrophenoxy) pyrazoles and their use as herbicides | MONSANTO COMPANY (US) | 1990-10-23 | — | — | US | disclosed |
| EP-0371947-A1 | Substituted pyrazoles and their use as herbicides | Monsanto Company (US) | 1990-06-06 | — | — | EP | disclosed |
| EP-0370990-A1 | Herbicidal substituted pyrazoles | MONSANTO COMPANY (US) | 1990-05-30 | — | — | EP | disclosed |
| US-4855442-A | Substituted 3-hydroxy pyrazoles | MONSANTO COMPANY (US) | 1989-08-08 | — | — | US | disclosed |
| EP-0295233-A2 | Substituted 3-(4-nitrophenoxy)pyrazoles and their use as herbicides | Monsanto Company (US) | 1988-12-14 | — | — | EP | disclosed |
| EP-0233253-A1 | CARBAMATE COATING COMPOSITIONS | UNION CARBIDE CORPORATION (US) | 1987-08-26 | — | — | EP | disclosed |
| US-4677168-A | Water borne high solids coating compositions | UNION CARBIDE CORPORATION, | 1987-06-30 | — | — | US | disclosed |
| WO-1987000851-A1 | CARBAMATE COATING COMPOSITIONS | UNION CARBIDE CORPORATION (US) | 1987-02-12 | — | — | WO | disclosed |
| EP-0196112-A2 | Aqueous high solids coating compositions | UNION CARBIDE CORPORATION (US) | 1986-10-01 | — | — | EP | disclosed |