⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16411409 | 0.91 | NOS3 (0.30) | — | |
| SCHEMBL12166822 | 0.82 | — | — | |
| SCHEMBL18488409 | 0.80 | NOS3 (0.33) | — | |
| SCHEMBL24131673 | 0.78 | — | — | |
| SCHEMBL24239886 | 0.77 | — | — | |
| SCHEMBL20824779 | 0.77 | — | — | |
| SCHEMBL23669404 | 0.76 | — | — | |
| SCHEMBL14455064 | 0.76 | — | — | |
| SCHEMBL282940 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL2492450 | 0.73 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5086184-A | Herbicides | DOWELANCO (US) | 1992-02-04 | — | — | US | disclosed |
| US-4943634-A | HERBICIDES | ELI LILLY AND COMPANY (US) | 1990-07-24 | — | — | US | disclosed |
| US-4801718-A | HERBICIDES | ELI LILLY AND COMPANY (US) | 1989-01-31 | — | — | US | disclosed |
| US-4636243-A | HERBICIDES ISOXAZOLES | ELI LILLY AND COMPANY (US) | 1987-01-13 | — | — | US | disclosed |
| US-4515625-A | HERBICIDES | ELI LILLY AND COMPANY (US) | 1985-05-07 | — | — | US | disclosed |
| US-4416683-A | HERBICIDES | ELI LILLY AND COMPANY (US) | 1983-11-22 | — | — | US | disclosed |