⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL35518 | 0.58 | — | — | |
| SCHEMBL6591843 | 0.57 | — | — | |
| SCHEMBL4797212 | 0.57 | — | — | |
| SCHEMBL19457314 | 0.57 | — | — | |
| SCHEMBL1658305 | 0.57 | — | — | |
| SCHEMBL9499109 | 0.54 | — | — | |
| SCHEMBL24521821 | 0.53 | NISCH (0.39) | — | |
| SCHEMBL13924888 | 0.52 | — | — | |
| SCHEMBL13261993 | 0.52 | — | — | |
| SCHEMBL1782987 | 0.52 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103764143-B | Lipoxygenase inhibitors | 斯坦福国际咨询研究所 | 2017-05-03 | — | — | CN | disclosed |
| CN-103764143-A | Lipoxygenase inhibitors | STANFORD RES INST INT | 2014-04-30 | — | — | CN | disclosed |
| EP-1530572-A2 | ANALOGS OF INDOLE-3-CARBINOL METABOLITES AS CHEMOTHERAPEUTIC AND CHEMOPREVENTIVE AGENTS | Sri International (US) | 2005-05-18 | — | — | EP | disclosed |
| WO-2004018475-A2 | ANALOGS OF INDOLE-3-CARBINOL METABOLITES AS CHEMOTHERAPEUTIC AND CHEMOPREVENTIVE AGENTS | SRI INTERNATIONAL (US) | 2004-03-04 | — | — | WO | disclosed |