⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3059376 | 0.77 | KIF11 (0.33) | — | |
| SCHEMBL194173 | 0.76 | — | — | |
| SCHEMBL295568 | 0.75 | TSHR (0.34) | — | |
| SCHEMBL15352229 | 0.71 | NQO1 (0.36) | — | |
| SCHEMBL21268129 | 0.67 | LTA4H (0.35) | — | |
| SCHEMBL8439561 | 0.67 | TEAD4 (0.39) | — | |
| SCHEMBL416530 | 0.66 | APP (0.42) | — | |
| SCHEMBL49983 | 0.65 | KIF11 (0.31) | — | |
| SCHEMBL16472976 | 0.64 | TTR (0.42) | — | |
| SCHEMBL193857 | 0.62 | — | — |
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 |