⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22614 | 0.83 | — | — | |
| SCHEMBL28077167 | 0.83 | — | — | |
| SCHEMBL4255204 | 0.82 | — | — | |
| SCHEMBL25403112 | 0.82 | — | — | |
| Alcohol SCHEMBL28059934 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL21060839 | 0.80 | — | — | |
| SCHEMBL18575587 | 0.80 | — | — | |
| Ethylene SCHEMBL4977985 | 0.80 | — | — | |
| SCHEMBL843289 | 0.80 | — | — | |
| Phosphine SCHEMBL28872842 | 0.80 | — | — |
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-109749547-A | A kind of environment-friendly type glass baking varnish | 吴春燕 | 2019-05-14 | — | — | CN | disclosed |
| CN-105505093-B | A kind of environment-friendly type glass baking varnish and preparation method thereof | 河北晨阳工贸集团有限公司 | 2018-06-08 | — | — | CN | disclosed |