⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1723130 | 1.00 | — | — | |
| SCHEMBL10188072 | 1.00 | — | — | |
| SCHEMBL10188067 | 0.90 | — | — | |
| SCHEMBL409104 | 0.90 | — | — | |
| SCHEMBL10093802 | 0.83 | — | — | |
| SCHEMBL405535 | 0.81 | — | — | |
| SCHEMBL409901 | 0.78 | — | — | |
| SCHEMBL311104 | 0.77 | — | — | |
| SCHEMBL311103 | 0.77 | — | — | |
| SCHEMBL2982235 | 0.77 | DHODH (0.49) | — |
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-20120022067-A1 | THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES AS P2X3 AND P2X2/3 ANTAGONISTS | CHEN LI (CN) | 2012-01-26 | — | — | US | disclosed |
| EP-2091927-B1 | THIAZOLE AND OXAZOLE-SUBSTITUTED ARYLAMIDES | HOFFMANN LA ROCHE (CH) | 2011-07-20 | — | — | EP | disclosed |