⚠ 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 | |
|---|---|---|---|---|
| Acrylic Acid SCHEMBL28316117 | 0.92 | — | — | |
| SCHEMBL36677 | 0.91 | ALDH1A1 (0.34) | — | |
| Acrylic Acid SCHEMBL28979645 | 0.87 | LMNA (0.30) | — | |
| SCHEMBL28221199 | 0.82 | — | — | |
| SCHEMBL285649 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL2318298 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL1369441 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL28552396 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL28546850 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL2957657 | 0.80 | ALDH1A1 (0.31) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110055001-A | A kind of colored varnish surface protective film of antiacid caustic corrosion stain resistance and its application | 宁波激智科技股份有限公司 | 2019-07-26 | — | — | CN | disclosed |