⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3910329 | 1.00 | — | — | |
| SCHEMBL195285 | 1.00 | — | — | |
| SCHEMBL387923 | 0.86 | TSHR (0.46) | — | |
| SCHEMBL6386011 | 0.84 | ALDH1A1 (0.48) | — | |
| SCHEMBL1438637 | 0.82 | ALDH1A1 (0.52) | — | |
| SCHEMBL7646382 | 0.82 | ALDH1A1 (0.52) | — | |
| SCHEMBL10439675 | 0.80 | — | — | |
| SCHEMBL10042367 | 0.79 | FOLH1 (0.45) | — | |
| SCHEMBL2311610 | 0.78 | — | — | |
| SCHEMBL5506409 | 0.78 | — | — |
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-113474348-A | Substituted oxopyridine derivatives | 拜耳公司 | 2021-10-01 | — | — | CN | disclosed |