⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3552494 | 0.86 | — | — | |
| SCHEMBL7095455 | 0.79 | — | — | |
| SCHEMBL3824962 | 0.77 | — | — | |
| SCHEMBL4984066 | 0.76 | — | — | |
| SCHEMBL10377784 | 0.74 | — | — | |
| SCHEMBL21198604 | 0.74 | — | — | |
| SCHEMBL13791847 | 0.72 | — | — | |
| SCHEMBL5701724 | 0.70 | — | — | |
| SCHEMBL1860989 | 0.70 | — | — | |
| SCHEMBL20483122 | 0.70 | — | — |
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-2134692-A2 | QUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FOR SELECTIN INHIBITION | Wyeth a Corporation of the State of Delaware (US) | 2009-12-23 | — | — | EP | disclosed |
| US-7550608-B2 | Processes for the preparation of docetaxel | FLORIDA STATE UNIVERSITY RESEARCH FOUNDATION, INC. (US) | 2009-06-23 | — | — | US | disclosed |
| US-20080255192-A1 | 2-(1-(4-chlorophenyl)cyclopropyl)-3-hydroxy-8-(trifluoromethoxy)quinoline-4-carboxylic acid; antiinflammtory agents; antagonists of the mammalian adhesion proteins | WYETH (US) | 2008-10-16 | — | — | US | disclosed |
| WO-2008121817-A2 | QUINOLINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS COMPRISING THEM FOR SELECTIN INHIBITION | WYETH (US) | 2008-10-09 | — | — | WO | disclosed |
| US-20080242700-A1 | Methods and Compositions for Selectin Inhibition | WYETH (US) | 2008-10-02 | — | — | US | disclosed |