⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3603505 | 0.82 | — | — | |
| SCHEMBL31193658 | 0.80 | — | — | |
| SCHEMBL90561 | 0.77 | — | — | |
| SCHEMBL8444152 | 0.75 | — | — | |
| SCHEMBL31259210 | 0.74 | — | — | |
| SCHEMBL16166032 | 0.74 | CA2 (0.32) | — | |
| SCHEMBL13105462 | 0.72 | — | — | |
| SCHEMBL9597208 | 0.72 | — | — | |
| SCHEMBL14869075 | 0.72 | PIK3CD (0.36) | — | |
| SCHEMBL5271914 | 0.72 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7576222-B2 | N-{[4-(but-2-ynyloxy)phenyl]sulfonyl}-1-(2-fluorobenzyl)-5-methoxy-2-methyltryptophan; for treatment of rheumatoid arthritis, juvenile rheumatoid arthritis, ulcerative colitis, or Crohn's disease | WYETH (US) | 2009-08-18 | — | — | US | disclosed |
| US-20060160884-A1 | Alkynyl-containing tryptophan derivative inhibitors of tace/matrix metalloproteinase | WYETH (US) | 2006-07-20 | — | — | US | disclosed |