⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL135840 | 0.91 | — | — | |
| SCHEMBL8060724 | 0.91 | — | — | |
| SCHEMBL27669385 | 0.91 | ALDH1A1 (0.33) | — | |
| Hydrochloric Acid SCHEMBL377772 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL2898946 | 0.88 | — | — | |
| Dimethylamine SCHEMBL7893155 | 0.69 | — | — | |
| Dimethylamine SCHEMBL9854037 | 0.69 | ALDH1A1 (0.56) | — | |
| Dimethylamine SCHEMBL28098217 | 0.69 | ALDH1A1 (0.56) | — | |
| SCHEMBL5886370 | 0.67 | HTR2A (0.33) | — | |
| Dimethylamine SCHEMBL22190253 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0406837-A2 | Cationic polysaccharides and reagents for their preparation | National Starch and Chemical Investment Holding Corporation (US) | 1991-01-09 | — | — | EP | claimed |