⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10374940 | 0.87 | — | — | |
| SCHEMBL11323317 | 0.85 | TSHR (0.35) | — | |
| SCHEMBL3627376 | 0.85 | ALDH1A1 (0.35) | — | |
| SCHEMBL9279637 | 0.80 | — | — | |
| SCHEMBL101280 | 0.78 | — | — | |
| SCHEMBL7922575 | 0.78 | — | — | |
| SCHEMBL10696540 | 0.78 | — | — | |
| SCHEMBL5377604 | 0.76 | — | — | |
| SCHEMBL2136226 | 0.76 | — | — | |
| SCHEMBL6427608 | 0.76 | EGLN1 (0.47) | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040210051-A1 | N-alkanoylphenylalanine derivatives | CHEN LI (US) | 2004-10-21 | — | — | US | disclosed |
| US-6806365-B2 | ACTIVITY AS INHIBITORS OF BINDING BETWEEN VCAM-1 AND CELLS EXPRESSING VLA-4. SUCH COMPOUNDS ARE USEFUL FOR TREATING DISEASES WHOSE SYMPTOMS AND/OR DAMAGE ARE RELATED TO THE BINDING OF VCAM-1 TO CELLS EXPRESSING VLA-4. | HOFFMANN-LA ROCHER INC. | 2004-10-19 | — | — | US | disclosed |
| EP-1005446-B1 | N-AROYLPHENYLALANINE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2004-02-25 | — | — | EP | disclosed |
| US-20030109459-A1 | N-alkanoylphenylalamine derivatives | CHEN LI (US) | 2003-06-12 | — | — | US | disclosed |
| US-6455550-B1 | INHIBITORS OF BINDING BETWEEN VASCULAR CELL ADHESION MOLECULES AND CELLS EXPRESSING VLA-4 INTEGRIN; ANTIINFLAMMATORY AGENTS | HOFFMANN-LA ROCHE INC. | 2002-09-24 | — | — | US | disclosed |
| EP-1005446-A1 | N-AROYLPHENYLALANINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2000-06-07 | — | — | EP | disclosed |
| WO-1999010313-A1 | N-AROYLPHENYLALANINE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 1999-03-04 | — | — | WO | disclosed |
| EP-0061197-B1 | ALPHA CHAIN DIENIC PROSTANOIC ACID DERIVATIVES | G.D. Searle & Co. (US) | 1986-05-21 | — | — | EP | disclosed |
| EP-0061197-A1 | Alpha chain dienic prostanoic acid derivatives | G.D. Searle & Co. (US) | 1982-09-29 | — | — | EP | disclosed |
| US-4312994-A | α Chain dienic prostanoic acid derivatives | G. D. SEARLE & CO. (US) | 1982-01-26 | — | — | US | disclosed |