⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23988626 | 0.83 | APP (0.31) | — | |
| SCHEMBL23988461 | 0.79 | PAOX (0.32) | — | |
| SCHEMBL23988530 | 0.78 | PAOX (0.31) | — | |
| SCHEMBL23988458 | 0.76 | APP (0.35) | — | |
| SCHEMBL21305482 | 0.71 | APP (0.39) | — | |
| SCHEMBL23988537 | 0.70 | DNM1 (0.31) | — | |
| SCHEMBL23988453 | 0.68 | APP (0.42) | — | |
| SCHEMBL23988457 | 0.66 | PAOX (0.33) | — | |
| SCHEMBL18403011 | 0.63 | FAAH (0.33) | — | |
| SCHEMBL16666053 | 0.61 | APP (0.50) | — |
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-20210340404-A1 | SILANOL COMPOSITIONS AND METHODS OF USE | 3M INNOVATIVE PROPERTIES COMPANY | 2021-11-04 | — | — | US | disclosed |