⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15630591 | 1.00 | — | — | |
| SCHEMBL18755333 | 1.00 | — | — | |
| SCHEMBL14467498 | 1.00 | — | — | |
| SCHEMBL18755344 | 1.00 | — | — | |
| SCHEMBL18755319 | 1.00 | — | — | |
| SCHEMBL20078047 | 0.92 | FUCA1 (0.30) | — | |
| SCHEMBL13661095 | 0.92 | FUCA1 (0.30) | — | |
| SCHEMBL23958297 | 0.90 | FUCA1 (0.31) | — | |
| SCHEMBL21566810 | 0.90 | FUCA1 (0.31) | — | |
| SCHEMBL21566808 | 0.90 | FUCA1 (0.31) | — |
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-1370566-B1 | SYNTHETIC DERIVATIVES OF 21-BUTENYL AND RELATED SPINOSYNS | DOW AGROSCIENCES LLC (US) | 2017-04-19 | — | — | EP | disclosed |