⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9063020 | 0.85 | HPGD (0.36) | — | |
| SCHEMBL7023904 | 0.85 | NR4A3 (0.30) | — | |
| SCHEMBL7024584 | 0.70 | RAB9A (0.38) | — | |
| SCHEMBL7015975 | 0.69 | HTT (0.31) | — | |
| SCHEMBL7026302 | 0.68 | ALDH1A1 (0.55) | — | |
| SCHEMBL6314379 | 0.67 | KDM4E (0.42) | — | |
| SCHEMBL9057499 | 0.63 | MAPT (0.36) | — | |
| SCHEMBL7017012 | 0.62 | HSD11B1 (0.41) | — | |
| SCHEMBL8466633 | 0.61 | RECQL (0.33) | — | |
| SCHEMBL2362044 | 0.61 | KDM4E (0.37) | — |
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-0749433-A1 | (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY | ZENECA LIMITED (GB) | 1996-12-27 | — | — | EP | disclosed |