⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1606398 | 0.70 | CYP11B2 (0.42) | — | |
| SCHEMBL28107224 | 0.69 | HTR6 (0.34) | — | |
| SCHEMBL28207690 | 0.57 | DGAT1 (0.41) | — | |
| SCHEMBL31226821 | 0.57 | NAMPT (0.46) | — | |
| SCHEMBL7234332 | 0.56 | LMNA (0.49) | — | |
| SCHEMBL28216955 | 0.55 | DGAT1 (0.43) | — | |
| SCHEMBL30610133 | 0.55 | HCAR2 (0.49) | — | |
| SCHEMBL29139912 | 0.55 | HCAR2 (0.49) | — | |
| SCHEMBL21058313 | 0.54 | DGAT1 (0.46) | — | |
| SCHEMBL1352474 | 0.54 | DGAT1 (0.46) | — |
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-104193725-B | Organic compound | 诺华股份有限公司 | 2016-11-16 | — | — | CN | disclosed |