⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9616431 | 0.84 | SMN1; SMN2 (0.40) | — | |
| SCHEMBL11444768 | 0.79 | DPP7 (0.44) | — | |
| SCHEMBL11439214 | 0.79 | MCL1 (0.52) | — | |
| SCHEMBL7663588 | 0.79 | — | — | |
| SCHEMBL320506 | 0.77 | — | — | |
| SCHEMBL16453799 | 0.75 | HPGD (0.42) | — | |
| SCHEMBL14271588 | 0.74 | MEN1 (0.43) | — | |
| SCHEMBL11094937 | 0.73 | — | — | |
| SCHEMBL103387 | 0.72 | — | — | |
| SCHEMBL27745813 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0213892-B1 | HERBICIDALLY ACTIVE ENOLS | ROHM AND HAAS COMPANY (US) | 1992-03-25 | — | — | EP | disclosed |
| EP-0213892-A2 | Herbicidally active enols | ROHM AND HAAS COMPANY (US) | 1987-03-11 | — | — | EP | disclosed |