⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6901101 | 0.81 | APEX1 (0.30) | — | |
| SCHEMBL6104206 | 0.77 | KMT2A (0.39) | — | |
| SCHEMBL27791112 | 0.75 | CYP2C19 (0.30) | — | |
| SCHEMBL2512513 | 0.74 | — | — | |
| SCHEMBL13776530 | 0.74 | — | — | |
| SCHEMBL3301908 | 0.73 | — | — | |
| SCHEMBL28293404 | 0.73 | OPRM1 (0.35) | — | |
| SCHEMBL28244218 | 0.73 | — | — | |
| SCHEMBL30280451 | 0.73 | ALDH1A1 (0.32) | — | |
| SCHEMBL4586411 | 0.73 | GRM1 (0.38) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116710116-A | Beta-sheet femoral bridge peptide | Ｘｅｎｏ－Ｉｎｔｅｒｆａｃｅ株式会社 | 2023-09-05 | — | — | CN | disclosed |
| EP-2261208-A1 | Intermediates for the preparation of antihistaminic 4-diphenylmethyl/diphenylmethoxy piperidine derivatives | Aventisub II Inc. (US) | 2010-12-15 | — | — | EP | disclosed |
| US-20040267017-A1 | 3-pyridyl or 4-isoquinolinyl thiazoles as c17, 20 lyase inhibitors | BAYER PHARMACEUTICALS CORPORATION | 2004-12-30 | — | — | US | disclosed |
| EP-1432706-A2 | 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS | Bayer Pharmaceuticals Corporation (US) | 2004-06-30 | — | — | EP | disclosed |
| WO-2003027085-A2 | 3-PYRIDYL OR 4-ISOQUINOLINYL THIAZOLES AS C17,20 LYASE INHIBITORS | BAYER PHARMACEUTICALS CORPORATION (US) | 2003-04-03 | — | — | WO | disclosed |