⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14937356 | 1.00 | — | — | |
| SCHEMBL5455988 | 0.87 | TDP1 (0.55) | — | |
| SCHEMBL5456001 | 0.87 | TDP1 (0.55) | — | |
| SCHEMBL8943894 | 0.87 | TDP1 (0.55) | — | |
| Methacrylic Acid SCHEMBL25407958 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL900418 | 0.81 | ALDH1A1 (0.42) | — | |
| Methacrylic Acid SCHEMBL21224236 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL775559 | 0.81 | ALDH1A1 (0.42) | — | |
| SCHEMBL25405174 | 0.81 | HCAR2 (0.40) | — | |
| SCHEMBL25405178 | 0.81 | HCAR2 (0.40) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8822724-B2 | Method for producing carboxylic acid amide | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2014-09-02 | — | — | US | disclosed |
| EP-2599769-A1 | METHOD FOR PRODUCING CARBOXYLIC ACID AMIDE | Sumitomo Chemical Company Limited (JP) | 2013-06-05 | — | — | EP | disclosed |
| US-20130123505-A1 | METHOD FOR PRODUCING CARBOXYLIC ACID AMIDE | SUMITOMO CHEMICAL COMPANY, LIMITED | 2013-05-16 | — | — | US | disclosed |