⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7702340 | 0.90 | — | — | |
| SCHEMBL3287225 | 0.82 | ALDH1A1 (0.33) | — | |
| SCHEMBL11304871 | 0.78 | PAOX (0.38) | — | |
| SCHEMBL467091 | 0.75 | — | — | |
| SCHEMBL433840 | 0.75 | — | — | |
| SCHEMBL7225588 | 0.75 | PAOX (0.52) | — | |
| SCHEMBL2333897 | 0.74 | — | — | |
| SCHEMBL2933239 | 0.73 | — | — | |
| SCHEMBL9632247 | 0.73 | — | — | |
| SCHEMBL23798277 | 0.73 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105407729-B | Wrap polyamine-containing composition and method | 库扎环球有限责任公司 | 2018-01-02 | — | — | CN | disclosed |
| US-20100150851-A1 | ANIONIC-CATIONIC COMPLEXES AS CONDITIONING AGENTS | ALZO INTERNATIONAL, INC. (US) | 2010-06-17 | — | — | US | disclosed |
| CN-1237911-A | Optical diagnostic agents for diagnosis of neurodenerative diseases by means of near infra-red radiation (NIR-Radiation) | DIAGNOSTIKFORSCHUNG INST (DE) | 1999-12-08 | — | — | CN | disclosed |