⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6738847 | 0.83 | TYR (0.39) | — | |
| SCHEMBL112009 | 0.83 | — | — | |
| SCHEMBL592856 | 0.72 | — | — | |
| SCHEMBL1396725 | 0.72 | — | — | |
| Pyrazine SCHEMBL7593109 | 0.72 | TYR (0.31) | — | |
| Propionic Acid SCHEMBL28491340 | 0.70 | FFAR3 (0.42) | — | |
| SCHEMBL15945083 | 0.69 | — | — | |
| SCHEMBL11046634 | 0.69 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL29177916 | 0.69 | BAZ2B (0.35) | — | |
| SCHEMBL18198947 | 0.69 | TP53 (0.31) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120065179-A1 | PRODRUG COMPRISING BETA-KETO CARBOXYLIC ACID, BETA-KETO CARBOXYLIC ACID SALT OR BETA-KETO CARBOXYLIC ACID ESTER FOR DRUG DELIVERY | YKI, Ytemiska Institutet AB (SE) | 2012-03-15 | — | — | US | disclosed |
| EP-2419398-A1 | A PRODRUG COMPRISING BETA-KETO CARBOXYLIC ACID, BETA-KETO CARBOXYLIC ACID SALT OR BETA-KETO CARBOXYLIC ACID ESTER FOR DRUG DELIVERY | YKI, Ytkemiska Institutet AB (SE) | 2012-02-22 | — | — | EP | disclosed |
| WO-2010120232-A1 | A PRODRUG COMPRISING BETA-KETO CARBOXYLIC ACID, BETA-KETO CARBOXYLIC ACID SALT OR BETA-KETO CARBOXYLIC ACID ESTER FOR DRUG DELIVERY | YKI, YTKEMISKA INSTITUTET AB (SE) | 2010-10-21 | — | — | WO | disclosed |
| US-20050000529-A1 | Method and compositions for imparting cooling effect to tobacco products | VECTOR TOBACCO INC. | 2005-01-06 | — | — | US | disclosed |
| EP-1455609-A2 | METHOD AND COMPOSITIONS FOR IMPARTING COOLING EFFECT TO TOBACCO PRODUCTS | Vector Tobacco Inc. (US) | 2004-09-15 | — | — | EP | disclosed |
| WO-2003053176-A2 | METHOD AND COMPOSITIONS FOR IMPARTING COOLING EFFECT TO TOBACCO PRODUCTS | VECTOR TOBACCO INC. (US) | 2003-07-03 | — | — | WO | disclosed |
| EP-1157617-A2 | Use of alpha-keto enamine derivatives as ingredients | Société des Produits Nestlé S.A. (CH) | 2001-11-28 | — | — | EP | disclosed |