⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2929545 | 0.74 | TSHR (0.44) | — | |
| SCHEMBL5608329 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL1879178 | 0.72 | HCAR2 (0.56) | — | |
| SCHEMBL3594049 | 0.72 | HCAR2 (0.56) | — | |
| SCHEMBL48527 | 0.72 | ALDH1A1 (0.47) | — | |
| SCHEMBL4144646 | 0.70 | ALDH1A1 (0.48) | — | |
| SCHEMBL1886588 | 0.69 | HCAR2 (0.59) | — | |
| SCHEMBL10734344 | 0.69 | ALDH1A1 (0.48) | — | |
| SCHEMBL3022767 | 0.69 | NFE2L2 (0.60) | — | |
| SCHEMBL1881404 | 0.69 | NFE2L2 (0.60) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0971896-A1 | QUINOLINE-2-CARBOXYLIC ACID DERIVATIVE AND ITS USE AS EXCITATORY AMINO ACIDS ANTAGONIST | GLAXO WELLCOME S.p.A. (IT) | 2000-01-19 | — | — | EP | disclosed |
| WO-1998042673-A1 | QUINOLINE-2-CARBOXYLIC ACID DERIVATIVE AND ITS USE AS EXCITATORY AMINO ACIDS ANTAGONIST | GLAXO WELLCOME S.P.A. (IT) | 1998-10-01 | — | — | WO | disclosed |