⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2289393 | 0.87 | GABRA1 (0.31) | — | |
| SCHEMBL455674 | 0.80 | — | — | |
| SCHEMBL2286355 | 0.80 | — | — | |
| SCHEMBL2288524 | 0.78 | GABRA1 (0.30) | — | |
| SCHEMBL2283123 | 0.78 | NOTUM (0.33) | — | |
| SCHEMBL2282014 | 0.72 | — | — | |
| SCHEMBL2286033 | 0.72 | — | — | |
| SCHEMBL2285196 | 0.72 | ALDH1A1 (0.32) | — | |
| SCHEMBL2285498 | 0.71 | NOTUM (0.36) | — | |
| SCHEMBL2285283 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101506166-B | Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane compounds | BASF SE | 2011-08-24 | — | — | CN | disclosed |
| US-7989394-B2 | Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane compounds | BASF SE (DE) | 2011-08-02 | — | — | US | disclosed |
| CN-101506166-A | Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane compounds | BASF SE (DE) | 2009-08-12 | — | — | CN | disclosed |
| US-20090131256-A1 | Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane Compounds | BASF SE (DE) | 2009-05-21 | — | — | US | disclosed |