⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9664681 | 0.83 | ALDH1A1 (0.39) | — | |
| SCHEMBL11617926 | 0.77 | NPC1 (0.43) | — | |
| SCHEMBL8770476 | 0.77 | ALDH1A1 (0.37) | — | |
| SCHEMBL2329960 | 0.74 | ALDH1A1 (0.39) | — | |
| SCHEMBL1959315 | 0.72 | ALDH1A1 (0.50) | — | |
| SCHEMBL17635960 | 0.72 | KMT2A (0.32) | — | |
| SCHEMBL918273 | 0.72 | FBP1 (0.48) | — | |
| SCHEMBL760613 | 0.72 | FBP1 (0.31) | — | |
| SCHEMBL20681834 | 0.71 | NPC1 (0.39) | — | |
| SCHEMBL2117230 | 0.71 | ALDH1A1 (0.41) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0321408-B1 | 2-THIO-5-DIFLUOROMETHYLTHIO-1,3,4-THIADIAZOLES, AND NEMATOCIDAL AGENTS CONTAINING THEM | CIBA-GEIGY AG (CH) | 1992-09-23 | — | — | EP | claimed |
| US-4910210-A | A 2-thio-5-difluoromethylthio-1,3,4-thiadiazole | CIBA-GEIGY CORP. (US) | 1990-03-20 | — | — | US | claimed |
| EP-0321408-A1 | 2-Thio-5-difluoromethylthio-1,3,4-thiadiazoles, and nematocidal agents containing them | CIBA-GEIGY AG (CH) | 1989-06-21 | — | — | EP | claimed |
| JP-2000280-A | — | — | None | — | — | JP | disclosed |
| JP-2000280-A | — | — | None | — | — | JP | disclosed |
| EP-0321408-B1 | 2-THIO-5-DIFLUOROMETHYLTHIO-1,3,4-THIADIAZOLES, AND NEMATOCIDAL AGENTS CONTAINING THEM | CIBA-GEIGY AG (CH) | 1992-09-23 | — | — | EP | disclosed |
| EP-0321408-B1 | 2-THIO-5-DIFLUOROMETHYLTHIO-1,3,4-THIADIAZOLES, AND NEMATOCIDAL AGENTS CONTAINING THEM | CIBA-GEIGY AG (CH) | 1992-09-23 | — | — | EP | disclosed |
| US-4910210-A | A 2-thio-5-difluoromethylthio-1,3,4-thiadiazole | CIBA-GEIGY CORP. (US) | 1990-03-20 | — | — | US | disclosed |
| JP-H02280-A | 2-THIO-5-DIFLUOROMETHYLTHIO-1,3,4-THIADIAZOLE AND NEMATOCIDAL COMPOSITIONS CONTAINING THE SAME AS EFFECTIVE COMPONENT | CIBA GEIGY AG | 1990-01-05 | — | — | JP | disclosed |
| JP-H02280-A | 2-THIO-5-DIFLUOROMETHYLTHIO-1,3,4-THIADIAZOLE AND NEMATOCIDAL COMPOSITIONS CONTAINING THE SAME AS EFFECTIVE COMPONENT | CIBA GEIGY AG | 1990-01-05 | — | — | JP | disclosed |
| EP-0321408-A1 | 2-Thio-5-difluoromethylthio-1,3,4-thiadiazoles, and nematocidal agents containing them | CIBA-GEIGY AG (CH) | 1989-06-21 | — | — | EP | disclosed |
| EP-0321408-A1 | 2-Thio-5-difluoromethylthio-1,3,4-thiadiazoles, and nematocidal agents containing them | CIBA-GEIGY AG (CH) | 1989-06-21 | — | — | EP | disclosed |