⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3039828 | 0.71 | — | — | |
| SCHEMBL28472610 | 0.70 | — | — | |
| SCHEMBL101600 | 0.70 | POLB (0.31) | — | |
| SCHEMBL15090549 | 0.70 | — | — | |
| SCHEMBL1318886 | 0.68 | — | — | |
| SCHEMBL1198132 | 0.68 | POLB (0.30) | — | |
| SCHEMBL39164 | 0.68 | POLB (0.30) | — | |
| SCHEMBL20448829 | 0.68 | — | — | |
| SCHEMBL8413587 | 0.68 | — | — | |
| SCHEMBL1194419 | 0.67 | — | — |
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-5082959-A | Oxidation of alkyl groups substituted on a trialkylsilyl-substituted aromatic ring using oxygen gas and a cobalt and/or manganese compound and a bromide as catalyts | AMOCO CORPORATION (US) | 1992-01-21 | — | — | US | disclosed |