⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20060263 | 0.91 | CA1 (0.31) | — | |
| SCHEMBL20060279 | 0.88 | — | — | |
| SCHEMBL21985356 | 0.87 | HCRTR1 (0.33) | — | |
| SCHEMBL20060316 | 0.85 | — | — | |
| SCHEMBL20060282 | 0.84 | — | — | |
| SCHEMBL21985648 | 0.82 | HTR2A (0.33) | — | |
| SCHEMBL20060289 | 0.79 | HTR2A (0.38) | — | |
| SCHEMBL16272416 | 0.78 | REN (0.31) | — | |
| SCHEMBL21985638 | 0.78 | HTR2A (0.32) | — | |
| SCHEMBL21985264 | 0.77 | CNR1 (0.30) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3004052-B1 | HERBICIDALLY ACTIVE (ALKYNYL-PHENYL)-SUBSTITUTED CYCLIC DIONE COMPOUNDS AND DERIVATIVES THEREOF | SYNGENTA LTD (GB) | 2018-04-18 | — | — | EP | disclosed |