⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7024029 | 0.81 | — | — | |
| SCHEMBL7025238 | 0.77 | LMNA (0.33) | — | |
| SCHEMBL7023241 | 0.74 | NPC1 (0.32) | — | |
| SCHEMBL7019151 | 0.74 | NPC1 (0.30) | — | |
| SCHEMBL8752043 | 0.74 | ALOX15 (0.51) | — | |
| SCHEMBL719258 | 0.73 | RAB9A (0.41) | — | |
| SCHEMBL7029648 | 0.71 | — | — | |
| SCHEMBL8751969 | 0.71 | SLC2A1 (0.35) | — | |
| SCHEMBL8752011 | 0.71 | RAB9A (0.36) | — | |
| SCHEMBL7021140 | 0.69 | ADORA3 (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 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-5952359-A | NEMATICIDES, INSECTICIDES AND MITICIDES; 1,1-DIFLUORO-3-(THIAZOLYL OR ISOTHIAZOYL-THIO (OR SULFINYL OR SULFONYL)-PROP-1-ENE DERIVATIVES | ZENECA LIMITED (GB) | 1999-09-14 | — | — | US | 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 |
| 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 |