⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10511746 | 0.97 | — | — | |
| SCHEMBL8625553 | 0.77 | — | — | |
| SCHEMBL8624944 | 0.77 | — | — | |
| SCHEMBL2338277 | 0.76 | — | — | |
| SCHEMBL8622655 | 0.73 | — | — | |
| SCHEMBL9082059 | 0.71 | — | — | |
| SCHEMBL9094928 | 0.68 | KDM4E (0.30) | — | |
| SCHEMBL8621652 | 0.68 | EPHX2 (0.35) | — | |
| SCHEMBL8622814 | 0.65 | CYP3A4 (0.31) | — | |
| SCHEMBL10375754 | 0.65 | ALDH1A1 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0684942-B1 | METHOD FOR PREPARING QUINOLINE CARBOXYLIC ACIDS AND DERIVATIVES THEREOF | HOECHST CELANESE CORP (US) | 1998-06-10 | — | — | EP | disclosed |
| EP-0684942-A4 | — | — | 1995-12-27 | — | — | EP | disclosed |
| EP-0684942-A1 | METHOD FOR PREPARING QUINOLINE CARBOXYLIC ACIDS AND DERIVATIVES THEREOF | HOECHST CELANESE CORPORATION (US) | 1995-12-06 | — | — | EP | disclosed |
| US-5430152-A | Heating aminoarylester in presence of chlorosulfonic acid, oleum | HOECHST CELANESE CORPORATION (US) | 1995-07-04 | — | — | US | disclosed |
| WO-1994019312-A1 | METHOD FOR PREPARING QUINOLINE CARBOXYLIC ACIDS AND DERIVATIVES THEREOF | HOECHST CELANESE CORPORATION (US) | 1994-09-01 | — | — | WO | disclosed |