⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4406750 | 0.74 | CSNK2A1 (0.36) | — | |
| SCHEMBL1192740 | 0.74 | CNOT7 (0.49) | — | |
| SCHEMBL3961933 | 0.64 | GDA (0.44) | — | |
| SCHEMBL340668 | 0.64 | GDA (0.44) | — | |
| SCHEMBL30572345 | 0.64 | GDA (0.44) | — | |
| Hydrochloric Acid SCHEMBL3957661 | 0.62 | GDA (0.43) | — | |
| SCHEMBL2734066 | 0.61 | DAO (0.46) | — | |
| SCHEMBL10944283 | 0.60 | — | — | |
| SCHEMBL13718088 | 0.59 | — | — | |
| SCHEMBL10907718 | 0.58 | MEN1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2298356-A2 | Multivalent VLA-4 antagonists comprising polymer moieties | ELAN PHARMACEUTICALS, INC. (US) | 2011-03-23 | — | — | EP | disclosed |