⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6047008 | 0.67 | CES2 (0.33) | — | |
| SCHEMBL5610465 | 0.67 | CES2 (0.61) | — | |
| SCHEMBL9746200 | 0.66 | — | — | |
| SCHEMBL3136460 | 0.62 | — | — | |
| SCHEMBL2768304 | 0.62 | CYP2C19 (0.40) | — | |
| SCHEMBL124048 | 0.60 | F2 (0.31) | — | |
| SCHEMBL11879827 | 0.59 | — | — | |
| SCHEMBL9746255 | 0.59 | — | — | |
| SCHEMBL3185888 | 0.57 | — | — | |
| SCHEMBL7868058 | 0.57 | ALDH1A1 (0.33) | — |
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-114929789-A | CFRP structure, method for producing CFRP structure, carbon fiber prepreg, and method for producing carbon fiber prepreg | 三菱化学株式会社 | 2022-08-19 | — | — | CN | disclosed |