⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7366325 | 0.91 | — | — | |
| SCHEMBL2418813 | 0.83 | CHRM2 (0.31) | — | |
| Bromide SCHEMBL9458205 | 0.81 | CHRM2 (0.30) | — | |
| SCHEMBL3314288 | 0.78 | — | — | |
| SCHEMBL8415961 | 0.77 | — | — | |
| SCHEMBL9458044 | 0.74 | — | — | |
| SCHEMBL13398611 | 0.73 | — | — | |
| Bromide SCHEMBL9458281 | 0.72 | — | — | |
| SCHEMBL592719 | 0.72 | — | — | |
| SCHEMBL9053628 | 0.72 | CYP2C19 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1001971-A1 | DIPEPTIDE AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-05-24 | — | — | EP | disclosed |
| WO-1999006432-A1 | DIPEPTIDE AND RELATED COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | disclosed |
| EP-0625981-A1 | AZABICYCLO COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1994-11-30 | — | — | EP | disclosed |
| WO-1993015080-A1 | AZABICYCLO COMPOUNDS AS CALCIUM CHANNEL ANTAGONISTS | SMITHKLINE BEECHAM PLC (GB) | 1993-08-05 | — | — | WO | disclosed |