⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2046016 | 0.61 | — | — | |
| SCHEMBL16652328 | 0.60 | — | — | |
| SCHEMBL586108 | 0.59 | — | — | |
| Methenamine SCHEMBL4447637 | 0.50 | MEN1 (0.43) | — | |
| SCHEMBL10710731 | 0.48 | TSHR (0.65) | — | |
| SCHEMBL1228248 | 0.45 | MEN1 (0.75) | — | |
| SCHEMBL713244 | 0.45 | — | — | |
| SCHEMBL9166406 | 0.45 | — | — | |
| SCHEMBL651428 | 0.45 | MEN1 (0.75) | — | |
| SCHEMBL30913224 | 0.45 | MEN1 (0.75) | — |
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 43 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7973044-B2 | Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2011-07-05 | — | — | US | disclosed |
| US-7968547-B2 | Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2011-06-28 | — | — | US | disclosed |
| US-7745454-B2 | Alpha amino acid derivatives-inhibitors of leukocyte adhesion mediated by VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2010-06-29 | — | — | US | disclosed |
| US-20100160343-A1 | HETEROARYL, HETEROCYCLIC AND ARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. | 2010-06-24 | — | — | US | disclosed |
| US-20100160341-A1 | HETEROARYL, HETEROCYCLIC AND ARYL COMPOUNDS WHICH INHIBIT LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. | 2010-06-24 | — | — | US | disclosed |
| US-7741328-B2 | Treating inflammatory diseases such as rheumatoid arthritis, multiple sclerosis or Crohn's disease; Very Late Antigen-4 (VLA-4), also called alpha 4 beta 1 integrin; N-(sulfonamido-substituted pyrimidyl, pyridyl or pyrazyl)-L-4-(N,N-dimethylcarbamyloxy)phenylalanine compounds | ELAN PHARMACEUTICALS, INC. (US) | 2010-06-22 | — | — | US | disclosed |
| EP-1144388-B1 | ACYL DERIVATIVES WHICH TREAT VLA-4 RELATED DISORDERS | ELAN PHARM INC (US) | 2010-01-13 | — | — | EP | disclosed |
| US-7605166-B2 | Synergistic mixture of methotrexate and integrin antigen or antibody | ELAN PHARMACEUTICALS INC. (US) | 2009-10-20 | — | — | US | disclosed |
| EP-1635822-A4 | METHODS AND COMPOSITIONS FOR TREATING RHEUMATOID ARTHRITIS | ELAN PHARM INC (US) | 2009-06-24 | — | — | EP | disclosed |
| US-20080182850-A1 | 3-(HETEROARYL)ALANINE DERIVATIVES-INHIBITORS OF LEUKOCYTE ADHESION MEDIATED BY VLA-4 | WYETH | 2008-07-31 | — | — | US | disclosed |
| US-20030125324-A1 | Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 | KONRADI ANDREI W (US) | 2003-07-03 | — | — | US | disclosed |
| US-6492372-B1 | Heteroaryl, heterocyclic and aryl compounds which inhibit leukocyte adhesion mediated by VLA-4 | ELAN PHARMACEUTICALS, INC. | 2002-12-10 | — | — | US | disclosed |
| US-20020058664-A1 | Beta-amino acid derivatives--inhibitors of leukocyte adhesion mediated by VLA-4 | WYETH | 2002-05-16 | — | — | US | disclosed |
| US-20020052470-A1 | Alpha amino acid derivatives--inhibitors of leukocyte adhesion mediated by VLA-4 | BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) | 2002-05-02 | — | — | US | disclosed |
| US-20020052375-A1 | 3-(Heteroaryal) alanine derivatives-inhibitors of leukocyte adhesion mediated by VLA-4 | BIOGEN IDEC INTERNATIONAL HOLDING LTD. (BM) | 2002-05-02 | — | — | US | disclosed |
| WO-2002008201-A2 | BETA-AMINO ACID DERIVATIVES-INHIBITORS OF LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2002-01-31 | — | — | WO | disclosed |
| WO-2002008202-A2 | ALPHA AMINO ACID DERIVATIVES--INHIBITORS OF LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2002-01-31 | — | — | WO | disclosed |
| WO-2002008203-A2 | 3-(HETEROARYL) ALANINE DERIVATIVES-INHIBITORS OF LEUKOCYTE ADHESION MEDIATED BY VLA-4 | ELAN PHARMACEUTICALS, INC. (US) | 2002-01-31 | — | — | WO | disclosed |
| EP-1144388-A1 | ACYL DERIVATIVES WHICH TREAT VLA-4 RELATED DISORDERS | Elan Pharmaceuticals, Inc. (US) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000043372-A1 | ACYL DERIVATIVES WHICH TREAT VLA-4 RELATED DISORDERS | ELAN PHARMACEUTICALS, INC. (US) | 2000-07-27 | — | — | WO | disclosed |