⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15715990 | 0.77 | — | — | |
| SCHEMBL26940419 | 0.77 | — | — | |
| SCHEMBL26940449 | 0.77 | — | — | |
| SCHEMBL4972604 | 0.77 | — | — | |
| SCHEMBL11799498 | 0.77 | — | — | |
| SCHEMBL28287804 | 0.76 | TSHR (0.39) | — | |
| SCHEMBL13485080 | 0.75 | — | — | |
| SCHEMBL13484758 | 0.75 | DPP4 (0.32) | — | |
| SCHEMBL3145350 | 0.71 | — | — | |
| SCHEMBL28675397 | 0.70 | ALDH1A1 (0.41) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007056279-A2 | PHOSPHOLIPASE INHIBITORS, INCLUDING MULTI-VALENT PHOSPHOLIPASE INHIBITORS, AND USE THEREOF, INCLUDING AS LUMEN-LOCALIZED PHOSPHOLIPASE INHIBITORS | ILYPSA, INC. (US) | 2007-05-18 | — | — | WO | disclosed |
| WO-2007056184-A2 | AZAINDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS | ILYPSA, INC. (US) | 2007-05-18 | — | — | WO | disclosed |
| WO-2007056281-A2 | MULTIVALENT INDOLE COMPOUNDS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS | ILYPSA, INC. (US) | 2007-05-18 | — | — | WO | disclosed |
| WO-2007056275-A2 | INDOLE COMPOUNDS HAVING C4-AMIDE SUBSTITUENTS AND USE THEREOF AS PHOSPHOLIPASE-A2 INHIBITORS | ILYPSA, INC. (US) | 2007-05-18 | — | — | WO | disclosed |
| US-20040063987-A1 | Method for producing alkoxymalononitriles | BARTEK JOHANNES (CH) | 2004-04-01 | — | — | US | disclosed |
| US-6673957-B2 | DEHYDRATION OF ALKOXY MALONIC ACID DIAMIDES | LONZA AG (CH) | 2004-01-06 | — | — | US | disclosed |
| US-20030144538-A1 | Method for producing alkoxy malonic acid dinitriles | LONZA AG (CH) | 2003-07-31 | — | — | US | disclosed |
| EP-1254105-A1 | METHOD FOR PRODUCING ALKOXY MALONIC ACID DINITRILES | Lonza AG (CH) | 2002-11-06 | — | — | EP | disclosed |
| WO-2001058857-A1 | METHOD FOR PRODUCING ALKOXY MALONIC ACID DINITRILES | LONZA AG (CH) | 2001-08-16 | — | — | WO | disclosed |