⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1123838 | 0.84 | — | — | |
| SCHEMBL14484173 | 0.63 | — | — | |
| SCHEMBL4221128 | 0.60 | — | — | |
| SCHEMBL7162393 | 0.60 | — | — | |
| SCHEMBL2382157 | 0.60 | — | — | |
| SCHEMBL6948531 | 0.54 | — | — | |
| SCHEMBL25427142 | 0.52 | — | — | |
| SCHEMBL5997087 | 0.52 | — | — | |
| SCHEMBL21256988 | 0.50 | — | — | |
| SCHEMBL1426645 | 0.50 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005016255-A2 | SUBSTITUTED TETRAHYDROQUINOLINES, PHENYLACETIC ACIDS AND BENZOIC ACIDS AS HEPATOCYTE NUCLEAR FACTOR 4 (HNF-4 ) MODULATOR COMPOUNDS | LIGAND PHARMACEUTICALS INCORPORATED (US) | 2005-02-24 | — | — | WO | disclosed |