⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2277797 | 0.78 | — | — | |
| SCHEMBL18569718 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL22532157 | 0.75 | — | — | |
| SCHEMBL29060650 | 0.73 | — | — | |
| SCHEMBL9806063 | 0.73 | — | — | |
| SCHEMBL16016197 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL33527286 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL31752594 | 0.71 | — | — | |
| SCHEMBL23097377 | 0.71 | — | — | |
| SCHEMBL27558329 | 0.71 | — | — |
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-105085282-B | Preparation method for alkyl alcohol amine | 南京红宝丽醇胺化学有限公司 | 2017-05-24 | — | — | CN | disclosed |