⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11379932 | 0.98 | — | — | |
| SCHEMBL11383712 | 0.95 | — | — | |
| SCHEMBL11383532 | 0.89 | — | — | |
| SCHEMBL11392114 | 0.82 | — | — | |
| SCHEMBL11861499 | 0.74 | ALDH1A1 (0.49) | — | |
| SCHEMBL11161304 | 0.71 | POLB (0.32) | — | |
| SCHEMBL11156240 | 0.71 | CA1 (0.34) | — | |
| SCHEMBL9826495 | 0.71 | KDM4E (0.33) | — | |
| SCHEMBL11555585 | 0.70 | ALDH1A1 (0.44) | — | |
| SCHEMBL11381644 | 0.70 | MAOB (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-4281121-A | 1,3,4-Thiadiazole-2-carboxylic acid derivatives, process for making the same and fungicidal and nematocidal compositions containing same | SCHERING AKTIENGESELLSCHAFT (DE) | 1981-07-28 | — | — | US | claimed |