⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7019591 | 1.00 | — | — | |
| SCHEMBL97122 | 0.75 | — | — | |
| SCHEMBL514233 | 0.75 | — | — | |
| SCHEMBL97121 | 0.75 | — | — | |
| SCHEMBL514232 | 0.75 | — | — | |
| SCHEMBL513802 | 0.74 | — | — | |
| SCHEMBL513803 | 0.74 | — | — | |
| SCHEMBL97283 | 0.73 | — | — | |
| SCHEMBL97284 | 0.73 | — | — | |
| SCHEMBL7483913 | 0.73 | ALDH1A1 (0.32) | — |
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 16 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 |
| US-5684011-A | Pyrimidine derivatives useful as nematicides | ZENECA LIMITED (GB) | 1997-11-04 | — | — | US | disclosed |
| EP-0660827-B1 | HETEROCYCLIC COMPOUNDS WITH PARASITICAL ACTIVITY | ZENECA LTD (GB) | 1997-04-16 | — | — | EP | 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 |
| US-5451681-A | Reduction, cyclization | ZENECA LIMITED (GB) | 1995-09-19 | — | — | US | disclosed |
| US-5451594-A | NEMATOCIDES, INSECTICIDES, MITICIDES AND FUNGICIDES | ZENECA LIMITED (GB) | 1995-09-19 | — | — | 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 |
| WO-1995019352-A2 | PROCESS FOR THE PREPARATION OF 2-(4,4-DIFLUORO-BUT-3-ENYLTHIO)-BENZ-THIAZOLES AND -BENZOXAZOLES | ZENECA LIMITED (GB) | 1995-07-20 | — | — | WO | disclosed |
| EP-0660830-A1 | BENZOXAZOLE AND BEZOTHIAZOLE DERIVATIVES | ZENECA LIMITED (GB) | 1995-07-05 | — | — | EP | disclosed |
| EP-0660827-A1 | HETEROCYCLIC COMPOUNDS WIHT PARASITICAL ACTIVITY. | ZENECA LTD (GB) | 1995-07-05 | — | — | EP | disclosed |
| WO-1994006783-A1 | BENZOXAZOLE AND BENZOTHIAZOLE DERIVATIVES | ZENECA LIMITED (GB) | 1994-03-31 | — | — | WO | disclosed |
| WO-1994006782-A1 | BENZOXAZOLE AND BEZOTHIAZOLE DERIVATIVES | ZENECA LIMITED (GB) | 1994-03-31 | — | — | WO | disclosed |
| WO-1994006777-A1 | HETEROCYCLIC COMPOUNDS WIHT PARASITICAL ACTIVITY | ZENECA LIMITED (GB) | 1994-03-31 | — | — | WO | disclosed |