⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL164151 | 0.54 | — | — | |
| SCHEMBL15367238 | 0.54 | — | — | |
| SCHEMBL2309435 | 0.54 | KDM4E (0.38) | — | |
| SCHEMBL2293494 | 0.52 | — | — | |
| SCHEMBL2909144 | 0.52 | — | — | |
| SCHEMBL24618327 | 0.50 | — | — | |
| SCHEMBL3915816 | 0.49 | — | — | |
| Butane SCHEMBL261746 | 0.48 | — | — | |
| Butane SCHEMBL27724399 | 0.48 | TSHR (0.33) | — | |
| SCHEMBL30987005 | 0.46 | — | — |
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 |