⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28007845 | 0.85 | ALDH1A1 (0.45) | — | |
| SCHEMBL8884307 | 0.85 | HSD17B10 (0.38) | — | |
| SCHEMBL9915206 | 0.84 | TDP1 (0.48) | — | |
| SCHEMBL26715398 | 0.83 | — | — | |
| SCHEMBL9271945 | 0.83 | — | — | |
| SCHEMBL15895044 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL14510054 | 0.80 | — | — | |
| SCHEMBL15999568 | 0.79 | HSD17B10 (0.65) | — | |
| SCHEMBL9153895 | 0.78 | — | — | |
| SCHEMBL4186636 | 0.78 | ALDH1A1 (0.39) | — |
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-109642196-A | SOLID STATE FERMENTATION REACTOR EQUIPPED WITH ACTIVE SUPPORT MATERIAL | 奎迪佳克拉夫特公司 | 2019-04-16 | — | — | CN | disclosed |