⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28716636 | 0.76 | ALDH1A1 (0.30) | — | |
| SCHEMBL29050039 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL486706 | 0.67 | PLG (0.45) | — | |
| SCHEMBL3292484 | 0.67 | L3MBTL1 (0.35) | — | |
| SCHEMBL4649926 | 0.67 | — | — | |
| SCHEMBL26837412 | 0.66 | — | — | |
| SCHEMBL6946282 | 0.65 | ACHE (0.33) | — | |
| SCHEMBL15358937 | 0.64 | PLG (0.43) | — | |
| Hydrochloric Acid SCHEMBL26675980 | 0.64 | — | — | |
| SCHEMBL3068478 | 0.63 | POLB (0.53) | — |
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-4289524-A | Herbicidal 3-(tetrahydrobenzothiazol-2-yl)tetrahydro-1,3,5-oxadiazin-4-ones | VELSICOL CHEMICAL COPORATION (US) | 1981-09-15 | — | — | US | disclosed |