⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6861227 | 0.70 | GRM5 (0.42) | — | |
| SCHEMBL29471995 | 0.68 | BACE1 (0.40) | — | |
| SCHEMBL22531721 | 0.68 | BACE1 (0.40) | — | |
| SCHEMBL3096590 | 0.67 | — | — | |
| SCHEMBL96210 | 0.67 | — | — | |
| SCHEMBL3958247 | 0.67 | — | — | |
| SCHEMBL2570837 | 0.67 | — | — | |
| SCHEMBL1822348 | 0.67 | — | — | |
| SCHEMBL5845735 | 0.67 | — | — | |
| SCHEMBL3958689 | 0.67 | CCR1 (0.43) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013092467-A1 | 7-AZAINDOLE INHIBITORS OF CRAC | F. HOFFMANN-LA ROCHE AG (CH) | 2013-06-27 | — | — | WO | disclosed |