⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18843393 | 0.96 | ALDH1A1 (0.37) | — | |
| SCHEMBL41331 | 0.96 | — | — | |
| SCHEMBL1360 | 0.96 | — | — | |
| SCHEMBL2250577 | 0.96 | — | — | |
| Methane SCHEMBL7097050 | 0.96 | — | — | |
| SCHEMBL739326 | 0.96 | — | — | |
| Bromide SCHEMBL2734598 | 0.92 | — | — | |
| SCHEMBL31371887 | 0.92 | — | — | |
| Water SCHEMBL27580599 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL437742 | 0.92 | — | — |
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-105623582-B | One kind is for being bonded polyacrylic epoxyn | 杭州宝明新材料科技有限公司 | 2019-03-26 | — | — | CN | claimed |
| CN-105623582-B | One kind is for being bonded polyacrylic epoxyn | 杭州宝明新材料科技有限公司 | 2019-03-26 | — | — | CN | disclosed |