⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL311999 | 0.67 | — | — | |
| SCHEMBL303788 | 0.65 | — | — | |
| SCHEMBL312568 | 0.62 | — | — | |
| SCHEMBL312898 | 0.59 | — | — | |
| SCHEMBL62703 | 0.57 | ATM (0.33) | — | |
| SCHEMBL667046 | 0.56 | CCR5 (0.33) | — | |
| SCHEMBL13145619 | 0.56 | CCR5 (0.31) | — | |
| SCHEMBL5297606 | 0.54 | — | — | |
| SCHEMBL20128349 | 0.54 | MAPK14 (0.31) | — | |
| Iodide SCHEMBL3857270 | 0.53 | CHAT (0.44) | — |
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-4009168-A | STABILIZERS FOR POLYOLEFINS | UBE INDUSTRIES, LTD. (JA) | 1977-02-22 | — | — | US | disclosed |