⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3172280 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL14366817 | 0.68 | KDM5B (0.33) | — | |
| SCHEMBL28417250 | 0.64 | POLB (0.40) | — | |
| SCHEMBL29150630 | 0.62 | NFKB1 (0.33) | — | |
| SCHEMBL24228120 | 0.61 | HSP90AA1 (0.35) | — | |
| SCHEMBL2900608 | 0.61 | MEN1 (0.30) | — | |
| SCHEMBL14049093 | 0.59 | TLR8 (0.33) | — | |
| SCHEMBL1758424 | 0.59 | BRD4 (0.38) | — | |
| Formamide SCHEMBL21678847 | 0.57 | KDM4E (0.37) | — | |
| SCHEMBL28606443 | 0.57 | CCNE2 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104203950-B | Liver x receptor modulators | 生命医药公司 | 2016-08-24 | — | — | CN | disclosed |
| CN-104203950-A | Liver x receptor modulators | VITAE PHARMACEUTICALS INC | 2014-12-10 | — | — | CN | disclosed |