⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8465429 | 0.81 | KDM4E (0.44) | — | |
| SCHEMBL8465837 | 0.78 | LMNA (0.32) | — | |
| SCHEMBL8467079 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL8465617 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL8466448 | 0.76 | PDE10A (0.33) | — | |
| SCHEMBL8465849 | 0.75 | KDM4E (0.34) | — | |
| SCHEMBL8466882 | 0.73 | — | — | |
| SCHEMBL8466866 | 0.72 | L3MBTL1 (0.62) | — | |
| SCHEMBL9725980 | 0.70 | NPC1 (0.40) | — | |
| SCHEMBL8465490 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| CN-1143958-A | (4,4-difluorobut-3-enylthio-)-substituted heterocyclic or carbocyclic ring compounds | ZENECA LTD (GB) | 1997-02-26 | — | — | CN | disclosed |