⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12057940 | 0.89 | — | — | |
| SCHEMBL12453760 | 0.89 | — | — | |
| SCHEMBL12036748 | 0.77 | IRAK4 (0.48) | — | |
| SCHEMBL12036746 | 0.75 | IRAK4 (0.38) | — | |
| SCHEMBL802912 | 0.74 | CHRM4 (0.34) | — | |
| SCHEMBL12057733 | 0.66 | IDH1 (0.36) | — | |
| SCHEMBL12037196 | 0.65 | — | — | |
| SCHEMBL12036858 | 0.65 | — | — | |
| SCHEMBL802358 | 0.65 | IRAK4 (0.30) | — | |
| SCHEMBL17203145 | 0.65 | IRAK4 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9433621-B2 | Substituted pyridine and pyrimidine derivatives and their use in treating viral infections | MERCK SHARP & DOHME CORP. (US) | 2016-09-06 | — | — | US | disclosed |
| US-20140242027-A1 | SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS | SOUTHERN RESEARCH INSTITUTE (US) | 2014-08-28 | — | — | US | disclosed |
| US-20110318305-A1 | SUBSTITUTED PYRIDINE AND PYRIMIDINE DERIVATIVES AND THEIR USE IN TREATING VIRAL INFECTIONS | MERCK SHARP & DOHME LLC | 2011-12-29 | — | — | US | disclosed |