⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28130733 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL28069388 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL29161033 | 0.76 | CA12 (0.30) | — | |
| Zinc Ion SCHEMBL29017860 | 0.76 | CA12 (0.48) | — | |
| SCHEMBL28370418 | 0.74 | — | — | |
| SCHEMBL6896586 | 0.72 | — | — | |
| SCHEMBL11382557 | 0.71 | MMP1 (0.37) | — | |
| SCHEMBL10905874 | 0.70 | — | — | |
| SCHEMBL11792719 | 0.70 | — | — | |
| SCHEMBL1618298 | 0.70 | — | — |
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-20070066585-A1 | ARYL PHENYLHETEROCYCLYL SULFIDE DERIVATIVES AND THEIR USE AS CELL ADHESION-INHIBITING ANTI-INFLAMMATORY AND IMMUNE-SUPPRESSIVE AGENTS | WANG GARY T | 2007-03-22 | — | — | US | disclosed |
| US-7129247-B2 | Aryl phenylheterocyclyl sulfide derivatives and their use as cell adhesion-inhibiting anti-inflammatory and immune-suppressive agents | ABBOTT LABORATORIES (US) | 2006-10-31 | — | — | US | disclosed |
| US-20050014746-A1 | Aryl phenylheterocyclyl sulfide derivatives and their use as cell adhesion-inhibiting anti-inflammatory and immune-supressive agents | ICOS CORPORATION | 2005-01-20 | — | — | US | disclosed |
| US-6787542-B2 | Aryl phenylheterocyclyl sulfide derivatives and their use as cell adhesion-inhibiting anti-inflammatory and immune-suppressive agents | ICOS CORPORATION | 2004-09-07 | — | — | US | disclosed |
| US-20020132807-A1 | Aryl phenylheterocyclyl sulfide derivatives and their use as cell adhesion-inhibiting anti-inflammatory and immune-suppressive agents | ICOS CORPORATION | 2002-09-19 | — | — | US | disclosed |