⚠ 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 | |
|---|---|---|---|---|
| Diethylamine SCHEMBL27841769 | 0.80 | TP53 (0.53) | — | |
| SCHEMBL28655985 | 0.79 | EPHX1 (0.38) | — | |
| Propane SCHEMBL28735577 | 0.78 | — | — | |
| Dimethylamine SCHEMBL28606706 | 0.78 | — | — | |
| Butane SCHEMBL374533 | 0.74 | — | — | |
| SCHEMBL28439349 | 0.73 | — | — | |
| SCHEMBL22634 | 0.73 | — | — | |
| SCHEMBL8619869 | 0.73 | — | — | |
| Methylethylamine SCHEMBL14666 | 0.73 | — | — | |
| Ethylamine SCHEMBL978202 | 0.72 | — | — |
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-107922592-B | Aqueous adhesive compositions based on epoxy resins with improved adhesion promotion and storage stability | SIKA技术股份公司 | 2021-08-10 | — | — | CN | disclosed |