⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2703440 | 0.86 | — | — | |
| SCHEMBL9921686 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL169598 | 0.70 | — | — | |
| SCHEMBL27504653 | 0.69 | — | — | |
| SCHEMBL10535581 | 0.69 | USP2 (0.31) | — | |
| SCHEMBL14639904 | 0.69 | ALDH1A1 (0.44) | — | |
| SCHEMBL7097982 | 0.69 | ALDH1A1 (0.44) | — | |
| SCHEMBL3128723 | 0.68 | — | — | |
| SCHEMBL27651887 | 0.68 | CYP2C19 (0.35) | — | |
| SCHEMBL11526700 | 0.68 | TSHR (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6388081-B1 | 4-substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries | LION BIOSCIENCE AG (DE) | 2002-05-14 | — | — | US | disclosed |
| US-6262269-B1 | 4-Substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries | TREGA BIOSCIENCES, INC. | 2001-07-17 | — | — | US | disclosed |