⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22577028 | 0.80 | POLB (0.34) | — | |
| SCHEMBL7019364 | 0.78 | — | — | |
| SCHEMBL7026098 | 0.75 | ALDH1A1 (0.41) | — | |
| SCHEMBL7023346 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL7019272 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL7023597 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL7023733 | 0.70 | RAB9A (0.31) | — | |
| SCHEMBL7020542 | 0.70 | APEX1 (0.46) | — | |
| SCHEMBL7022346 | 0.70 | GAA (0.47) | — | |
| SCHEMBL7019668 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0749433-B1 | (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY | SYNGENTA LTD (GB) | 2003-05-07 | — | — | EP | disclosed |
| US-5912243-A | NOVEL COMPOUNDS FOR CONTROLLING NEMATODES, INSECT OR ACARID PESTS | ZENECA LIMITED (GB) | 1999-06-15 | — | — | US | disclosed |
| US-5705516-A | NEMATOCIDES, INSECTICIDES, ACARICIDES | ZENECA LIMITED (GB) | 1998-01-06 | — | — | US | disclosed |
| 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 |
| WO-1995024403-A1 | (4,4-DIFLUOROBUT-3-ENYLTHIO)-SUBSTITUTED HETEROCYCLIC OR CARBOCYCLIC RING COMPOUNDS HAVING PESTICIDAL ACTIVITY | ZENECA LIMITED (GB) | 1995-09-14 | — | — | WO | disclosed |