⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7525113 | 0.79 | — | — | |
| SCHEMBL7516897 | 0.79 | — | — | |
| SCHEMBL7517754 | 0.79 | — | — | |
| SCHEMBL7516902 | 0.79 | — | — | |
| SCHEMBL10778756 | 0.74 | — | — | |
| SCHEMBL1871620 | 0.72 | — | — | |
| SCHEMBL7752937 | 0.72 | — | — | |
| SCHEMBL8648876 | 0.72 | — | — | |
| SCHEMBL8371333 | 0.72 | — | — | |
| SCHEMBL13692909 | 0.70 | — | — |
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-118225931-A | Method for detecting chloropropanol content in electronic smoke sol | 东莞市鸿馥生物科技有限公司 | 2024-06-21 | — | — | CN | disclosed |
| EP-0270033-A2 | Polyesterpolyols and use thereof in the production of polyurethane foams | ECP ENICHEM POLIMERI S.r.l. (IT) | 1988-06-08 | — | — | EP | disclosed |