⚠ 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 | |
|---|---|---|---|---|
| Butanone SCHEMBL8207534 | 0.87 | — | — | |
| Butanone SCHEMBL9281749 | 0.84 | — | — | |
| Butanone SCHEMBL8663620 | 0.84 | ALDH1A1 (0.69) | — | |
| Butanone SCHEMBL8209740 | 0.82 | — | — | |
| Butanone SCHEMBL77322 | 0.82 | — | — | |
| Butanone SCHEMBL1510153 | 0.82 | — | — | |
| Butanone SCHEMBL1310 | 0.82 | — | — | |
| Butanone SCHEMBL1039820 | 0.82 | ALDH1A1 (1.00) | — | |
| Butanone SCHEMBL8379087 | 0.82 | ALDH1A1 (1.00) | — | |
| Acrylic Acid SCHEMBL10543499 | 0.81 | ALDH1A1 (0.59) | — |
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-111116870-A | Latent resin composition, prepreg and epoxy composite material | 浙江华正新材料股份有限公司 | 2020-05-08 | — | — | CN | disclosed |