⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31058002 | 1.00 | — | — | |
| SCHEMBL31229457 | 0.79 | ALDH1A1 (0.35) | — | |
| SCHEMBL135961 | 0.79 | — | — | |
| SCHEMBL9345959 | 0.79 | DGAT1 (0.46) | — | |
| SCHEMBL13971383 | 0.79 | — | — | |
| SCHEMBL226311 | 0.79 | — | — | |
| SCHEMBL361851 | 0.78 | ALDH1A1 (0.44) | — | |
| SCHEMBL29281158 | 0.78 | ALDH1A1 (0.44) | — | |
| SCHEMBL4075908 | 0.78 | ALDH1A1 (0.44) | — | |
| SCHEMBL891948 | 0.78 | DGAT1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104144924-B | Be used for the treatment of and prevent hepatitis b virus infected 4-methyl-dihydro miazines | F. HOFFMANN-LA ROCHE AG (CH) | 2016-02-24 | — | — | CN | disclosed |