⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27763719 | 0.77 | — | — | |
| SCHEMBL10594010 | 0.68 | — | — | |
| SCHEMBL23060518 | 0.65 | — | — | |
| SCHEMBL27360648 | 0.64 | HCAR2 (0.53) | — | |
| SCHEMBL6589110 | 0.64 | — | — | |
| SCHEMBL1062043 | 0.64 | HCAR2 (0.53) | — | |
| SCHEMBL27855095 | 0.62 | — | — | |
| SCHEMBL2880722 | 0.61 | — | — | |
| SCHEMBL863941 | 0.59 | ALDH1A1 (0.35) | — | |
| SCHEMBL4023647 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101460569-A | Adhesion promoting additive | AVERY DENNISON CORP (US) | 2009-06-17 | — | — | CN | disclosed |