⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19204879 | 1.00 | — | — | |
| SCHEMBL28605739 | 0.80 | — | — | |
| SCHEMBL8401327 | 0.78 | — | — | |
| SCHEMBL8401323 | 0.78 | — | — | |
| SCHEMBL16651576 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL10882587 | 0.76 | ALDH1A1 (0.36) | — | |
| SCHEMBL4769759 | 0.76 | — | — | |
| SCHEMBL21977964 | 0.75 | NFE2L2 (0.55) | — | |
| SCHEMBL23882013 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL23882014 | 0.74 | ALDH1A1 (0.32) | — |
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-2017133657-A1 | PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA | SAVIRA PHARMACEUTICALS GMBH (AT) | 2017-08-10 | — | — | WO | disclosed |