⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12465295 | 0.86 | — | — | |
| SCHEMBL15963400 | 0.78 | — | — | |
| SCHEMBL2160545 | 0.73 | — | — | |
| SCHEMBL2160667 | 0.73 | MMP2 (0.32) | — | |
| SCHEMBL2161087 | 0.69 | VCAM1 (0.38) | — | |
| SCHEMBL29951645 | 0.65 | VCAM1 (0.38) | — | |
| SCHEMBL17367311 | 0.63 | DUT (0.30) | — | |
| SCHEMBL15963399 | 0.63 | SHMT1 (0.33) | — | |
| SCHEMBL24835098 | 0.61 | LOX (0.32) | — | |
| SCHEMBL1484446 | 0.61 | CYP2A6 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110184029-A1 | PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2011-07-28 | — | — | US | disclosed |
| WO-2010009047-A1 | PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2010-01-21 | — | — | WO | disclosed |