⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19255795 | 0.90 | GPR84 (0.32) | — | |
| SCHEMBL19255585 | 0.68 | REN (0.34) | — | |
| SCHEMBL19255693 | 0.68 | EGFR (0.31) | — | |
| SCHEMBL19886409 | 0.66 | ADORA1 (0.49) | — | |
| SCHEMBL19250615 | 0.65 | HCAR2 (0.34) | — | |
| SCHEMBL19255963 | 0.65 | HCAR2 (0.32) | — | |
| SCHEMBL786095 | 0.63 | GPR84 (0.40) | — | |
| SCHEMBL19249596 | 0.62 | GPR84 (0.39) | — | |
| SCHEMBL13122194 | 0.62 | ADORA2A (0.49) | — | |
| SCHEMBL31357929 | 0.59 | HTR2A (0.64) | — |
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-2017133670-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA | SAVIRA PHARMACEUTICALS GMBH (AT) | 2017-08-10 | — | — | WO | disclosed |