⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9701040 | 0.86 | — | — | |
| SCHEMBL4425929 | 0.79 | — | — | |
| SCHEMBL5429838 | 0.76 | — | — | |
| SCHEMBL28213688 | 0.67 | — | — | |
| SCHEMBL212937 | 0.66 | — | — | |
| SCHEMBL216632 | 0.64 | FDPS (0.32) | — | |
| SCHEMBL28179502 | 0.64 | OPRM1 (0.32) | — | |
| SCHEMBL17835414 | 0.63 | METAP1 (0.32) | — | |
| SCHEMBL4425931 | 0.63 | FDPS (0.31) | — | |
| SCHEMBL4997405 | 0.62 | OPRM1 (0.35) | — |
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-5108880-A | Developing agent, sulfite preservative and amino alcohol | SUN CHEMICAL CORPORATION (US) | 1992-04-28 | — | — | US | disclosed |