⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL28258924 | 0.95 | — | — | |
| SCHEMBL1736341 | 0.94 | ALDH1A1 (0.40) | — | |
| SCHEMBL30 | 0.94 | — | — | |
| SCHEMBL124190 | 0.94 | — | — | |
| Methane SCHEMBL9112044 | 0.89 | — | — | |
| SCHEMBL3466974 | 0.89 | — | — | |
| SCHEMBL1334883 | 0.89 | — | — | |
| Water SCHEMBL20920097 | 0.89 | ALDH1A1 (0.36) | — | |
| Fluoride SCHEMBL22345959 | 0.89 | ALDH1A1 (0.36) | — | |
| Water SCHEMBL812317 | 0.89 | ALDH1A1 (0.36) | — |
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-106117425-A | Alcoxyl ether and aldehyde group modified polyphenylacetylene derivative and preparation method thereof | 上海大学 | 2016-11-16 | — | — | CN | claimed |
| CN-102758264-B | The preparation method of polymer nanofiber and functionalization/hybrid material thereof and application | 中国科学院化学研究所 | 2016-07-06 | — | — | CN | claimed |
| CN-106117425-A | Alcoxyl ether and aldehyde group modified polyphenylacetylene derivative and preparation method thereof | 上海大学 | 2016-11-16 | — | — | CN | disclosed |