⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL94150 | 0.84 | — | — | |
| SCHEMBL323869 | 0.82 | KDM4E (0.32) | — | |
| SCHEMBL6116105 | 0.81 | — | — | |
| SCHEMBL44143 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL336665 | 0.79 | KDM4E (0.38) | — | |
| SCHEMBL1407275 | 0.79 | — | — | |
| Ammonia Solution, Strong SCHEMBL20241550 | 0.79 | TDP1 (0.36) | — | |
| SCHEMBL18274730 | 0.77 | KDM4E (0.34) | — | |
| Hydrochloric Acid SCHEMBL8394681 | 0.77 | KDM4E (0.37) | — | |
| Hydrochloric Acid SCHEMBL14659623 | 0.77 | TDP1 (0.35) | — |
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 2 patents. 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 |
| EP-2258399-A2 | Multivalent VLA-4 antagonists comprising polymer moieties | Elan Pharmaceuticals Inc. (US) | 2010-12-08 | — | — | EP | disclosed |