⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19550980 | 0.80 | — | — | |
| SCHEMBL6713704 | 0.72 | — | — | |
| SCHEMBL1258237 | 0.69 | TRPA1 (0.33) | — | |
| SCHEMBL840043 | 0.69 | — | — | |
| SCHEMBL1260284 | 0.68 | — | — | |
| SCHEMBL6715484 | 0.68 | — | — | |
| SCHEMBL16190448 | 0.68 | — | — | |
| SCHEMBL25270589 | 0.67 | MAPT (0.45) | — | |
| SCHEMBL841688 | 0.66 | — | — | |
| SCHEMBL535894 | 0.64 | — | — |
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-6262275-B1 | AS HERBICIDES | NIHON BAYER AGROCHEM K.K. (JP) | 2001-07-17 | — | — | US | disclosed |
| US-6017853-A | HERBICIDES; CHEMICAL INTERMEDIATES | NIHON BAYER AGROCHEM K.K. (JP) | 2000-01-25 | — | — | US | disclosed |