⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7640960 | 0.85 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL10329462 | 0.85 | SMN1; SMN2 (0.48) | — | |
| SCHEMBL10329475 | 0.83 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL29064781 | 0.80 | — | — | |
| SCHEMBL8372288 | 0.80 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL14574445 | 0.77 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL932508 | 0.77 | — | — | |
| SCHEMBL2136767 | 0.76 | TSHR (0.43) | — | |
| SCHEMBL6698356 | 0.74 | — | — | |
| SCHEMBL2138104 | 0.74 | ALDH1A1 (0.43) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103725727-A | Preparation method of simvastatin ammonium salt | ENZYMEWORKS INC | 2014-04-16 | — | — | CN | disclosed |
| EP-2664613-A1 | Process for producing amide compounds | Sumitomo Chemical Company, Limited (JP) | 2013-11-20 | — | — | EP | disclosed |
| EP-2662355-A1 | Process for producing a (fluoroalkylthio) acetonitrile | Sumitomo Chemical Company, Limited (JP) | 2013-11-13 | — | — | EP | disclosed |
| EP-2465846-A1 | PROCESS FOR PREPARATION OF (FLUOROALKYLTHIO)ACETIC ACID ESTERS | Sumitomo Chemical Company, Limited (JP) | 2012-06-20 | — | — | EP | disclosed |
| US-20120101294-A1 | PROCESS FOR PRODUCING (FLUOROALKYLTHIO) ACETIC ACID ESTER | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-04-26 | — | — | US | disclosed |
| EP-0243018-B1 | THIOLACTAM-N-ACETIC ACID DERIVATIVES, THEIR PRODUCTION AND USE | Takeda Chemical Industries, Ltd. (JP) | 1990-10-24 | — | — | EP | disclosed |
| US-4771050-A | ALDOSE REDUCTASE INHIBITOR, ANTICOAGULANTS | TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) | 1988-09-13 | — | — | US | disclosed |
| EP-0243018-A1 | Thiolactam-N-acetic acid derivatives, their production and use | Takeda Chemical Industries, Ltd. (JP) | 1987-10-28 | — | — | EP | disclosed |