⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL77915 | 0.96 | — | — | |
| Bromide SCHEMBL27539014 | 0.93 | — | — | |
| SCHEMBL5525013 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL709143 | 0.93 | — | — | |
| Water SCHEMBL4860496 | 0.93 | — | — | |
| Allylamine SCHEMBL2254965 | 0.84 | ALDH1A1 (0.53) | — | |
| Acetic Acid SCHEMBL8521540 | 0.84 | GABRR1 (0.46) | — | |
| Allylamine SCHEMBL25275445 | 0.82 | ALDH1A1 (0.50) | — | |
| SCHEMBL30461142 | 0.82 | NOS1 (0.31) | — | |
| Sulfur Dioxide SCHEMBL6013504 | 0.82 | NOS1 (0.36) | — |
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-109777377-A | Shale intercalation inhibitor made of a kind of Ultra-low molecular weight branching tertiary amine-type polyamine | 西南石油大学 | 2019-05-21 | — | — | CN | disclosed |