⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4337425 | 0.85 | TSHR (0.33) | — | |
| SCHEMBL4332842 | 0.82 | — | — | |
| SCHEMBL4344244 | 0.80 | MEN1 (0.31) | — | |
| SCHEMBL4344354 | 0.80 | CYP3A4 (0.34) | — | |
| SCHEMBL4346526 | 0.79 | POLB (0.30) | — | |
| SCHEMBL4337474 | 0.78 | CA1 (0.30) | — | |
| SCHEMBL4335622 | 0.76 | ALDH1A1 (0.32) | — | |
| SCHEMBL1153913 | 0.73 | CYP3A4 (0.33) | — | |
| SCHEMBL1153553 | 0.70 | CYP3A4 (0.32) | — | |
| SCHEMBL1152690 | 0.70 | MME (0.33) | — |
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-7612236-B2 | Method for producing optically active bisamidoalcohol compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-11-03 | — | — | US | disclosed |
| US-20070100163-A1 | Reacting an optically active aminoalcohol compound with a diester compound in the presence of a lithium compound wherein the lithium compound is selected from lithium hydroxide, a lithium alkoxide and a lithium halide; product can be efficiently and inexpensively produced | SUMITOMO CHEMICAL COMPANY, LIMITED | 2007-05-03 | — | — | US | disclosed |
| EP-1698616-A1 | METHOD FOR PRODUCING OPTICALLY ACTIVE BISAMIDO ALCOHOL COMPOUND | Sumitomo Chemical Company, Limited (JP) | 2006-09-06 | — | — | EP | disclosed |