⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL11423888 | 0.82 | TSHR (0.33) | — | |
| SCHEMBL22732439 | 0.82 | FAAH (0.36) | — | |
| SCHEMBL2142971 | 0.79 | CYP1A2 (0.32) | — | |
| Hydrochloric Acid SCHEMBL11800546 | 0.76 | CYP1A2 (0.31) | — | |
| SCHEMBL24675938 | 0.76 | — | — | |
| SCHEMBL1258254 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL31637467 | 0.74 | KDM4E (0.30) | — | |
| SCHEMBL8445184 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL28366456 | 0.73 | — | — | |
| SCHEMBL20440770 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070004889-A1 | Polymers based on n,n-diallylamine derivatives their production and use | BASF AKTIENGESELLSCHAFT (DE) | 2007-01-04 | — | — | US | disclosed |
| EP-1670837-A1 | POLYMERS BASED ON N,N-DIALLYLAMINE DERIVATIVES, THEIR PRODUCTION AND USE | BASF AKTIENGESELLSCHAFT (DE) | 2006-06-21 | — | — | EP | disclosed |
| WO-2005037882-A1 | POLYMERS BASED ON N,N-DIALLYLAMINE DERIVATIVES, THEIR PRODUCTION AND USE | BASF AKTIENGESELLSCHAFT (DE) | 2005-04-28 | — | — | WO | disclosed |