⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3103662 | 0.74 | — | — | |
| SCHEMBL7054024 | 0.73 | — | — | |
| SCHEMBL5179939 | 0.69 | — | — | |
| SCHEMBL5179947 | 0.69 | — | — | |
| SCHEMBL8188761 | 0.69 | — | — | |
| SCHEMBL3085275 | 0.69 | TSHR (0.30) | — | |
| SCHEMBL4774779 | 0.69 | — | — | |
| SCHEMBL5180136 | 0.69 | — | — | |
| SCHEMBL8537390 | 0.67 | — | — | |
| SCHEMBL4774783 | 0.65 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0818512-B1 | Quinoline derivative and use of same | MITSUI CHEMICALS INC (JP) | 2002-10-02 | — | — | EP | disclosed |
| US-6407242-B1 | REACTING A PHTHALIMIDE COMPOUND WITH A QUINOLINE COMPOUND;ELECTROLUMINESCENCE | MITSUI CHEMICALS, INC. (JP) | 2002-06-18 | — | — | US | disclosed |
| US-6132640-A | ZINC COMPLEXES OF QUINOLINE | MITSUI CHEMICALS, INC. (JP) | 2000-10-17 | — | — | US | disclosed |
| EP-0818512-A1 | Quinoline derivative and use of same | MITSUI TOATSU CHEMICALS, Inc. (JP) | 1998-01-14 | — | — | EP | disclosed |