⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4100933 | 0.79 | — | — | |
| SCHEMBL9818162 | 0.77 | — | — | |
| SCHEMBL276380 | 0.75 | — | — | |
| SCHEMBL25078569 | 0.75 | — | — | |
| SCHEMBL26827039 | 0.75 | — | — | |
| SCHEMBL28849481 | 0.73 | TSHR (0.50) | — | |
| SCHEMBL12127823 | 0.71 | TSHR (0.42) | — | |
| SCHEMBL100661 | 0.70 | — | — | |
| Thiourea SCHEMBL9443298 | 0.70 | TSHR (0.39) | — | |
| SCHEMBL28678686 | 0.70 | TSHR (0.46) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102653519-A | Preparation method of 2-aryl thioacetamide | UNIV SOOCHOW | 2012-09-05 | — | — | CN | claimed |
| CN-102653519-A | Preparation method of 2-aryl thioacetamide | UNIV SOOCHOW | 2012-09-05 | — | — | CN | disclosed |
| CN-102653519-A | Preparation method of 2-aryl thioacetamide | UNIV SOOCHOW | 2012-09-05 | — | — | CN | disclosed |
| CN-102653519-A | Preparation method of 2-aryl thioacetamide | UNIV SOOCHOW | 2012-09-05 | — | — | CN | disclosed |
| EP-1987008-A2 | HETEROAROYL-SUBSTITUTED ALANINES | BASF SE (DE) | 2008-11-05 | — | — | EP | disclosed |
| WO-2007093529-A2 | HETEROAROYL-SUBSTITUTED ALANINES | BASF SE (DE) | 2007-08-23 | — | — | WO | disclosed |