⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4013578 | 0.79 | GAA (0.43) | — | |
| SCHEMBL4602614 | 0.76 | ALDH1A1 (0.37) | — | |
| SCHEMBL10530850 | 0.75 | TSHR (0.36) | — | |
| SCHEMBL10618987 | 0.75 | TSHR (0.39) | — | |
| SCHEMBL344414 | 0.74 | NAAA (0.43) | — | |
| SCHEMBL8689790 | 0.74 | TDP1 (0.41) | — | |
| SCHEMBL54890 | 0.73 | CYP2D6 (0.31) | — | |
| SCHEMBL6442961 | 0.72 | — | — | |
| SCHEMBL12474298 | 0.70 | — | — | |
| SCHEMBL4312348 | 0.70 | LMNA (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20040034009-A1 | 1,6-Fused uracil derivatives as matrix metalloproteinase inhibitors | ROARK WILLIAM HOWARD (US) | 2004-02-19 | — | — | US | disclosed |
| US-5037834-A | Heterocycylic-substituted quinoline-carboxylic acids | PFIZER INC. (US) | 1991-08-06 | — | — | US | disclosed |
| EP-0202763-B1 | 5,6-DIFLUORONAPHTHYRIDINES AND 5,6,8-TRIFLUORO-QUINOLINES AS ANTIBACTERIAL AGENTS | WARNER-LAMBERT COMPANY (US) | 1989-11-08 | — | — | EP | disclosed |
| WO-1989005643-A1 | HETEROCYCLIC-SUBSTITUTED QUINOLINE-CARBOXYLIC ACIDS | PFIZER INC. (US) | 1989-06-29 | — | — | WO | disclosed |