⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL731930 | 0.96 | — | — | |
| SCHEMBL477785 | 0.96 | — | — | |
| SCHEMBL33897 | 0.96 | — | — | |
| SCHEMBL164113 | 0.86 | — | — | |
| SCHEMBL30862 | 0.86 | — | — | |
| SCHEMBL28011309 | 0.84 | — | — | |
| SCHEMBL624575 | 0.83 | — | — | |
| SCHEMBL30113282 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL6327479 | 0.83 | — | — | |
| SCHEMBL123918 | 0.83 | — | — |
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-1940826-B1 | PYRIMIDINYL AMIDE COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARM INC (US) | 2010-12-29 | — | — | EP | disclosed |