⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9204467 | 0.84 | — | — | |
| SCHEMBL9731842 | 0.84 | — | — | |
| SCHEMBL9209991 | 0.83 | DHODH (0.30) | — | |
| SCHEMBL9211862 | 0.80 | — | — | |
| SCHEMBL9201226 | 0.74 | — | — | |
| SCHEMBL9726295 | 0.72 | MAPK1 (0.31) | — | |
| SCHEMBL27693275 | 0.71 | — | — | |
| SCHEMBL10671273 | 0.71 | GAA (0.34) | — | |
| SCHEMBL9726420 | 0.70 | PPARA (0.34) | — | |
| SCHEMBL6729668 | 0.70 | DPP4 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0641337-A1 | CYCLIC ALKYLIDENE SUBSTITUTED PYRIDINE HERBICIDES | ROHM AND HAAS COMPANY (US) | 1995-03-08 | — | — | EP | disclosed |
| WO-1992021674-A1 | CYCLIC ALKYLIDENE SUBSTITUTED PYRIDINE HERBICIDES | MONSANTO COMPANY (US) | 1992-12-10 | — | — | WO | disclosed |
| US-5156670-A | Low soil mobility | MONSANTO COMPANY (US) | 1992-10-20 | — | — | US | disclosed |
| US-5096487-A | Triazole and nonhydroxlated dicarboyxlic acid; corrosion resistance | HOECHST AKTIENGESELLSCHAFT (DE) | 1992-03-17 | — | — | US | disclosed |