⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12317193 | 0.92 | LPAR1 (0.32) | — | |
| SCHEMBL12317240 | 0.89 | LPAR1 (0.34) | — | |
| SCHEMBL19543437 | 0.82 | — | — | |
| SCHEMBL12914841 | 0.80 | LPAR1 (0.39) | — | |
| SCHEMBL13155260 | 0.77 | LPAR1 (0.32) | — | |
| SCHEMBL31380117 | 0.69 | HSD17B10 (0.35) | — | |
| SCHEMBL21733117 | 0.69 | HSD17B10 (0.35) | — | |
| SCHEMBL13155378 | 0.68 | LPAR1 (0.36) | — | |
| SCHEMBL21935885 | 0.68 | LPAR1 (0.35) | — | |
| SCHEMBL25869902 | 0.67 | LPAR1 (0.47) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120329807-A1 | Multimeric VLA-4 Antagonists Comprising Polymers Moieties | ELAN PHARMACEUTICALS, INC. (US) | 2012-12-27 | — | — | US | disclosed |