⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14743096 | 0.82 | DNM1 (0.38) | — | |
| Thioglycolic Acid SCHEMBL29416230 | 0.82 | HDAC1 (0.38) | — | |
| Mercaptopropionic Acid SCHEMBL29416210 | 0.77 | HDAC1 (0.38) | — | |
| SCHEMBL9798310 | 0.77 | — | — | |
| SCHEMBL5932544 | 0.75 | — | — | |
| SCHEMBL14742796 | 0.75 | CA2 (0.35) | — | |
| SCHEMBL891265 | 0.73 | — | — | |
| SCHEMBL14742797 | 0.73 | ALDH1A1 (0.41) | — | |
| SCHEMBL28613469 | 0.71 | — | — | |
| SCHEMBL14742757 | 0.67 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110214157-B | Composition for optical material | 三菱瓦斯化学株式会社 | 2022-10-04 | — | — | CN | claimed |
| EP-3480340-B1 | IRON PARTICLE PASSIVATION | BOEING CO (US) | 2023-06-07 | — | — | EP | disclosed |
| CN-110214157-B | Composition for optical material | 三菱瓦斯化学株式会社 | 2022-10-04 | — | — | CN | disclosed |
| CN-110272679-B | Ultraviolet light curing paint phenolic hyperbranched super-amphiphobic anticorrosive paint and preparation method thereof | 西北农林科技大学 | 2021-04-09 | — | — | CN | disclosed |