⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27822811 | 0.83 | — | — | |
| SCHEMBL27802215 | 0.78 | CYP2A6 (0.42) | — | |
| SCHEMBL27822831 | 0.74 | — | — | |
| SCHEMBL27822801 | 0.74 | — | — | |
| SCHEMBL198668 | 0.72 | UGT2B7 (0.36) | — | |
| SCHEMBL27802202 | 0.70 | — | — | |
| SCHEMBL27822807 | 0.70 | ALDH1A1 (0.31) | — | |
| SCHEMBL289437 | 0.69 | LMNA (0.41) | — | |
| SCHEMBL27802197 | 0.69 | — | — | |
| SCHEMBL27822910 | 0.68 | — | — |
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-101977883-A | Process for production of 2-hydroxyaryl aldehyde compound | NISSAN CHEMICAL IND LTD | 2011-02-16 | — | — | CN | disclosed |