⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17584302 | 0.73 | — | — | |
| SCHEMBL11057987 | 0.68 | — | — | |
| SCHEMBL29893529 | 0.68 | KDM4E (0.33) | — | |
| SCHEMBL30048707 | 0.67 | — | — | |
| SCHEMBL11065399 | 0.67 | — | — | |
| SCHEMBL10526913 | 0.67 | KMT2A (0.38) | — | |
| SCHEMBL5719734 | 0.66 | L3MBTL1 (0.32) | — | |
| SCHEMBL31612663 | 0.66 | AR (0.32) | — | |
| SCHEMBL22613548 | 0.66 | ALOX15 (0.33) | — | |
| SCHEMBL992858 | 0.66 | ALDH1A1 (0.31) | — |
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 2 patents. 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 |
| WO-2017133667-A1 | PYRIMIDINE AND PYRIDINE DERIVATIVES AND USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA THEREOF | SAVIRA PHARMACEUTICALS GMBH (AT) | 2017-08-10 | — | — | WO | disclosed |