⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5193238 | 0.84 | — | — | |
| SCHEMBL9853471 | 0.80 | CA1 (0.36) | — | |
| SCHEMBL2418247 | 0.80 | — | — | |
| Acetic Acid SCHEMBL11765415 | 0.79 | GABRP (0.52) | — | |
| SCHEMBL2522581 | 0.78 | — | — | |
| SCHEMBL28001892 | 0.78 | — | — | |
| SCHEMBL29020065 | 0.78 | ALDH1A1 (0.47) | — | |
| SCHEMBL1131636 | 0.78 | — | — | |
| SCHEMBL4330962 | 0.77 | ALDH1A1 (0.41) | — | |
| SCHEMBL35996 | 0.77 | — | — |
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-115144492-B | Trace detection method for 3-chloropropionyl chloride in beta-chloropropion ketone | 山东百诺医药股份有限公司 | 2023-07-18 | — | — | CN | claimed |
| CN-115144492-B | Trace detection method for 3-chloropropionyl chloride in beta-chloropropion ketone | 山东百诺医药股份有限公司 | 2023-07-18 | — | — | CN | disclosed |