⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL203566 | 0.76 | KDM4E (0.33) | — | |
| SCHEMBL13363969 | 0.75 | GCGR (0.40) | — | |
| SCHEMBL203365 | 0.69 | — | — | |
| SCHEMBL203350 | 0.67 | AR (0.32) | — | |
| SCHEMBL10272561 | 0.64 | NPC1 (0.36) | — | |
| SCHEMBL203036 | 0.64 | PSMB8 (0.34) | — | |
| SCHEMBL203343 | 0.62 | KDM4E (0.33) | — | |
| SCHEMBL203054 | 0.60 | PDE10A (0.32) | — | |
| SCHEMBL203344 | 0.59 | CNR1 (0.34) | — | |
| SCHEMBL202479 | 0.59 | GABRB3 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8283475-B2 | Aryloazol-2-yl cyanoethylamino compounds, method of making and method of using thereof | MERIAL LIMITED (US) | 2012-10-09 | — | — | US | disclosed |
| US-20120149750-A1 | ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF | MERIAL, INC. | 2012-06-14 | — | — | US | disclosed |
| US-8088801-B2 | Aryloazol-2-yl cyanoethylamino compounds, method of making and method of using thereof | MERIAL LIMITED (US) | 2012-01-03 | — | — | US | disclosed |
| US-20080312272-A1 | ARYLOAZOL-2-YL CYANOETHYLAMINO COMPOUNDS, METHOD OF MAKING AND METHOD OF USING THEREOF | MERIAL, INC. | 2008-12-18 | — | — | US | disclosed |