⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11814661 | 0.88 | TYMP (0.33) | — | |
| SCHEMBL11816686 | 0.85 | TYMP (0.37) | — | |
| SCHEMBL11822924 | 0.85 | TYMP (0.30) | — | |
| SCHEMBL29429247 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL11831199 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL116685 | 0.79 | ALDH1A1 (0.32) | — | |
| SCHEMBL11818218 | 0.76 | TYMP (0.30) | — | |
| SCHEMBL11817627 | 0.76 | — | — | |
| SCHEMBL11818471 | 0.74 | — | — | |
| SCHEMBL11813340 | 0.74 | TYMP (0.33) | — |
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-3966953-A | 2-(Carbamoyloximino)-4-thiazolidinone compounds as insecticidal, miticidal or nematocidal agents | UNION CARBIDE CORPORATION (US) | 1976-06-29 | — | — | US | disclosed |