⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22469177 | 0.57 | — | — | |
| SCHEMBL22469175 | 0.57 | — | — | |
| SCHEMBL1766118 | 0.55 | — | — | |
| SCHEMBL615653 | 0.55 | — | — | |
| SCHEMBL7371565 | 0.53 | — | — | |
| Bromide SCHEMBL28317628 | 0.53 | — | — | |
| SCHEMBL456468 | 0.53 | — | — | |
| Ammonia Solution, Strong SCHEMBL28159485 | 0.53 | — | — | |
| Hydrochloric Acid SCHEMBL6578886 | 0.53 | — | — | |
| Hydrochloric Acid SCHEMBL10406911 | 0.53 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6586602-B2 | CD antigen antagonists such as N-(methanesulfonyl)-L-prolyl-L-phenylalanine and prodrugs used as antiinflammatory agents | BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) | 2003-07-01 | — | — | US | claimed |
| US-20030065193-A1 | Benzyl compounds which inhibit leukocyte adhesion mediated by VLA-4 | BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) | 2003-04-03 | — | — | US | claimed |
| US-6362341-B1 | ANTIINFLAMMATORY AGENTS | ATHENA NEUROSCIENCES, INC. | 2002-03-26 | — | — | US | claimed |
| EP-1001975-A1 | BENZYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | Elan Pharmaceuticals, Inc. (US) | 2000-05-24 | — | — | EP | claimed |
| WO-1999006436-A1 | BENZYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 1999-02-11 | — | — | WO | claimed |