⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL442109 | 0.78 | — | — | |
| Hydrogen Sulfide SCHEMBL8742082 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL3033584 | 0.75 | — | — | |
| SCHEMBL8742076 | 0.72 | — | — | |
| SCHEMBL2396668 | 0.61 | — | — | |
| SCHEMBL12259629 | 0.61 | — | — | |
| SCHEMBL4884922 | 0.61 | — | — | |
| SCHEMBL5728624 | 0.61 | — | — | |
| SCHEMBL4970132 | 0.60 | ALDH1A1 (0.33) | — | |
| SCHEMBL4970128 | 0.60 | ALDH1A1 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107286064-B | A kind of drug synthesis intermediate and preparation method thereof | 厦门海乐景生化有限公司 | 2018-10-26 | — | — | CN | disclosed |
| CN-107286064-A | A kind of drug synthesis intermediate and preparation method thereof | 厦门海乐景生化有限公司 | 2017-10-24 | — | — | CN | disclosed |