⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12465360 | 0.86 | — | — | |
| SCHEMBL15963400 | 0.75 | — | — | |
| SCHEMBL2161793 | 0.74 | FFAR1 (0.33) | — | |
| SCHEMBL2160386 | 0.73 | ALK (0.30) | — | |
| SCHEMBL18235808 | 0.63 | — | — | |
| SCHEMBL1484446 | 0.62 | CYP2A6 (0.38) | — | |
| SCHEMBL29952978 | 0.62 | CYP2A6 (0.38) | — | |
| SCHEMBL26908622 | 0.61 | ERN1 (0.38) | — | |
| SCHEMBL12225437 | 0.60 | ALDH5A1 (0.42) | — | |
| SCHEMBL12509629 | 0.60 | ALDH1A1 (0.51) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110184029-A1 | PYRIDONE DERIVATIVES AS NON-NUCLEOSIDE REVERSE TRANSCRIPTASE INHIBITORS | KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) | 2011-07-28 | — | — | US | disclosed |