⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27980658 | 0.82 | ALDH1A1 (0.44) | — | |
| SCHEMBL8226111 | 0.78 | — | — | |
| SCHEMBL27699463 | 0.75 | ALDH1A1 (0.43) | — | |
| SCHEMBL30668848 | 0.75 | — | — | |
| SCHEMBL272037 | 0.75 | — | — | |
| SCHEMBL29896037 | 0.74 | ALDH1A1 (0.50) | — | |
| SCHEMBL9548473 | 0.74 | CYP2A6 (0.50) | — | |
| SCHEMBL2829221 | 0.74 | ALDH1A1 (0.50) | — | |
| SCHEMBL28198363 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL585347 | 0.72 | — | — |
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-2258399-A2 | Multivalent VLA-4 antagonists comprising polymer moieties | Elan Pharmaceuticals Inc. (US) | 2010-12-08 | — | — | EP | disclosed |