⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31035299 | 0.64 | — | — | |
| SCHEMBL13942655 | 0.64 | — | — | |
| SCHEMBL31705914 | 0.61 | — | — | |
| SCHEMBL31023065 | 0.57 | — | — | |
| SCHEMBL15660873 | 0.51 | — | — | |
| Propane SCHEMBL28214075 | 0.49 | — | — | |
| Butane SCHEMBL4878999 | 0.46 | — | — | |
| Butane SCHEMBL4879002 | 0.46 | — | — | |
| Alcohol SCHEMBL15525297 | 0.43 | — | — | |
| Alcohol SCHEMBL15525295 | 0.43 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024167952-A1 | OXIDATIVELY CLEAVABLE ORGANOPHOSPHATE DRUGS | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2024-08-15 | — | — | WO | disclosed |