⚠ 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 | |
|---|---|---|---|---|
| Propene SCHEMBL28249977 | 1.00 | — | — | |
| Propene SCHEMBL27279573 | 0.87 | — | — | |
| Propene SCHEMBL27358161 | 0.87 | ALDH1A1 (0.43) | — | |
| Propene SCHEMBL27569505 | 0.83 | — | — | |
| Butadiene SCHEMBL28113500 | 0.80 | ALDH1A1 (0.38) | — | |
| Butadiene SCHEMBL27716785 | 0.80 | ALDH1A1 (0.38) | — | |
| Propene SCHEMBL27574431 | 0.78 | — | — | |
| Propene SCHEMBL28213450 | 0.78 | — | — | |
| Butadiene SCHEMBL28090220 | 0.78 | — | — | |
| Propene SCHEMBL28571553 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109137138-A | A kind of novel waterproof air previous antibacterial fabric and preparation method thereof | 石狮市中纺学服装及配饰产业研究院 | 2019-01-04 | — | — | CN | claimed |
| CN-114605398-A | Pyrrole compound with organic amine compound fluorescence recognition performance and preparation method thereof | 华南师范大学 | 2022-06-10 | — | — | CN | disclosed |
| CN-109137138-A | A kind of novel waterproof air previous antibacterial fabric and preparation method thereof | 石狮市中纺学服装及配饰产业研究院 | 2019-01-04 | — | — | CN | disclosed |