⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19255752 | 0.82 | CHEK1 (0.36) | — | |
| SCHEMBL19255693 | 0.82 | EGFR (0.31) | — | |
| SCHEMBL19255178 | 0.80 | MAPK1 (0.31) | — | |
| SCHEMBL19249768 | 0.77 | TGFBR1 (0.35) | — | |
| SCHEMBL9977698 | 0.73 | PIK3CG (0.35) | — | |
| SCHEMBL9977719 | 0.72 | ATR (0.34) | — | |
| SCHEMBL19250804 | 0.71 | NOS3 (0.33) | — | |
| SCHEMBL19250682 | 0.71 | SGK1 (0.33) | — | |
| SCHEMBL19244048 | 0.70 | — | — | |
| SCHEMBL19250685 | 0.68 | SGK1 (0.30) | — |
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 |