⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12285381 | 0.76 | — | — | |
| SCHEMBL28873688 | 0.70 | ADORA2A (0.37) | — | |
| SCHEMBL2571757 | 0.69 | PDE10A (0.33) | — | |
| SCHEMBL18343691 | 0.66 | ADORA2A (0.36) | — | |
| SCHEMBL2575320 | 0.60 | IDO1 (0.43) | — | |
| SCHEMBL2571208 | 0.60 | PDE10A (0.32) | — | |
| SCHEMBL10270150 | 0.60 | ADORA2A (0.35) | — | |
| SCHEMBL4084455 | 0.59 | IDO1 (0.42) | — | |
| SCHEMBL3599775 | 0.58 | EGLN2 (0.51) | — | |
| SCHEMBL14638753 | 0.58 | ADORA3 (0.44) | — |
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-2013055645-A1 | 5,7-SUBSTITUTED-IMIDAZO[1,2-C]PYRIMIDINES | ARRAY BIOPHARMA INC. (US) | 2013-04-18 | — | — | WO | disclosed |