⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL455674 | 0.85 | — | — | |
| SCHEMBL19356861 | 0.83 | — | — | |
| SCHEMBL2286033 | 0.77 | — | — | |
| SCHEMBL2285283 | 0.76 | — | — | |
| SCHEMBL2285498 | 0.76 | NOTUM (0.36) | — | |
| SCHEMBL2283140 | 0.74 | — | — | |
| SCHEMBL2289078 | 0.73 | — | — | |
| SCHEMBL2283829 | 0.73 | NOTUM (0.38) | — | |
| SCHEMBL2285613 | 0.72 | HTR2A (0.32) | — | |
| SCHEMBL2288577 | 0.72 | AR (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7989394-B2 | Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane compounds | BASF SE (DE) | 2011-08-02 | — | — | US | disclosed |
| US-20090131256-A1 | Substituted 1-(azolin-2-yl)-amino-2-aryl-1-hetaryl-ethane Compounds | BASF SE (DE) | 2009-05-21 | — | — | US | disclosed |