⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4894902 | 0.83 | — | — | |
| SCHEMBL5209088 | 0.81 | MMP1 (0.47) | — | |
| SCHEMBL22616345 | 0.81 | TSHR (0.48) | — | |
| SCHEMBL5211493 | 0.78 | CA12 (0.45) | — | |
| SCHEMBL5205978 | 0.78 | TAS1R3 (0.36) | — | |
| SCHEMBL5206485 | 0.78 | MEN1 (0.47) | — | |
| SCHEMBL4896267 | 0.76 | HTT (0.32) | — | |
| SCHEMBL11996872 | 0.76 | ALDH1A1 (0.56) | — | |
| SCHEMBL29105555 | 0.76 | ALDH1A1 (0.56) | — | |
| SCHEMBL5211819 | 0.76 | ALDH1A1 (0.35) | — |
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-6953809-B2 | Monocyte chemoattractant protein-1 inhibitor compounds | ZENECA LIMITED (GB) | 2005-10-11 | — | — | US | disclosed |
| EP-1001935-B1 | INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS | ASTRAZENECA AB (SE) | 2003-10-08 | — | — | EP | disclosed |
| EP-1003504-B1 | INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS | ASTRAZENECA AB (SE) | 2003-07-02 | — | — | EP | disclosed |
| US-20030119830-A1 | Monocyte chemoattractant protein-1 inhibitor compounds | ZENECA LIMITED | 2003-06-26 | — | — | US | disclosed |
| US-6441004-B1 | INDOLE DERIVATIVES AS ANTIINFLAMMATORY AGENTS | ZENECA LIMITED (GB) | 2002-08-27 | — | — | US | disclosed |
| US-6288103-B1 | MONOCYTE CHEMOATTRACTANT PROTEINS ANTAGONIST SUCH AS N-(3-CHLOROPHENYLSULPHONYL)INDOLE-2-CARBOXYLIC ACID; ANTIINFLAMMATORY AGENTS | ZENECA LIMITED (GB) | 2001-09-11 | — | — | US | disclosed |
| EP-1003504-A2 | INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS | AstraZeneca UK Limited (GB) | 2000-05-31 | — | — | EP | disclosed |
| EP-1001935-A1 | INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS | ZENECA LIMITED (GB) | 2000-05-24 | — | — | EP | disclosed |
| WO-1999007351-A2 | INDOLE DERIVATIVES AND THEIR USE AS MCP-1 ANTAGONISTS | ZENECA LIMITED (GB) | 1999-02-18 | — | — | WO | disclosed |
| WO-1999007678-A1 | INDOLE DERIVATIVES AS MCP-1 RECEPTOR ANTAGONISTS | ZENECA LIMITED (GB) | 1999-02-18 | — | — | WO | disclosed |