⚠ 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 | |
|---|---|---|---|---|
| Urea SCHEMBL29290260 | 0.97 | TDP1 (0.47) | — | |
| Carbamic Acid SCHEMBL27720277 | 0.90 | — | — | |
| SCHEMBL713567 | 0.88 | TDP1 (0.71) | — | |
| Acetone SCHEMBL27270383 | 0.86 | — | — | |
| SCHEMBL1200848 | 0.86 | ALDH1A1 (0.50) | — | |
| SCHEMBL32678 | 0.86 | — | — | |
| Acetone SCHEMBL11320038 | 0.83 | LMNA (0.43) | — | |
| Water SCHEMBL23879217 | 0.82 | — | — | |
| SCHEMBL11551884 | 0.82 | — | — | |
| Methane SCHEMBL756364 | 0.82 | — | — |
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-109575208-A | A kind of synthetic method of the modified p-tert-butylphenol acetaldehyde resin of methacrylaldehyde | 山东阳谷华泰化工股份有限公司 | 2019-04-05 | — | — | CN | disclosed |