⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28788467 | 0.83 | — | — | |
| SCHEMBL8923977 | 0.81 | GPR84 (0.58) | — | |
| SCHEMBL6054264 | 0.81 | TET2 (0.67) | — | |
| SCHEMBL3261082 | 0.81 | TET2 (0.67) | — | |
| SCHEMBL6678104 | 0.79 | GPR84 (0.61) | — | |
| SCHEMBL1227946 | 0.79 | GPR84 (0.61) | — | |
| SCHEMBL17272811 | 0.79 | GPR84 (0.61) | — | |
| SCHEMBL2733782 | 0.79 | GPR84 (0.61) | — | |
| SCHEMBL11651698 | 0.75 | GPR84 (0.71) | — | |
| SCHEMBL168576 | 0.75 | ENPEP (0.40) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101200450-A | 2,6-quinolinyl and 2,6-naphthyl derivatives, processes for preparing them and their uses as vla-4 inhibitors | UCB PHARMA SA (BE) | 2008-06-18 | — | — | CN | disclosed |
| CN-1649842-A | 2, 6-quinolyl and 2, 6-naphthyl derivatives, processes for their preparation and their use as VLA-4 inhibitors | UCB SA (BE) | 2005-08-03 | — | — | CN | disclosed |
| EP-0270382-A2 | Method for treating photographic processing waste solution | KONICA CORPORATION (JP) | 1988-06-08 | — | — | EP | disclosed |