⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5840288 | 1.00 | — | — | |
| SCHEMBL1189342 | 1.00 | — | — | |
| SCHEMBL8890971 | 1.00 | — | — | |
| SCHEMBL20088936 | 0.82 | TSHR (0.35) | — | |
| SCHEMBL18160120 | 0.82 | TSHR (0.35) | — | |
| SCHEMBL20088929 | 0.82 | TSHR (0.35) | — | |
| SCHEMBL1784659 | 0.80 | PTPN1 (0.39) | — | |
| SCHEMBL5499760 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL5494816 | 0.80 | TSHR (0.33) | — | |
| SCHEMBL13176735 | 0.80 | TSHR (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8729294-B2 | Process for producing optically active 3-substituted-3-formyl-2-hydroxypropanoic acid compound | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2014-05-20 | — | — | US | disclosed |
| US-20130137880-A1 | PROCESS FOR PRODUCING OPTICALLY ACTIVE 3-SUBSTITUTED-3-FORMYL-2-HYDROXYPROPANOIC ACID COMPOUND | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2013-05-30 | — | — | US | disclosed |
| US-7541456-B2 | Enolization; dimerization; trimerization; for synthesis of sugar molecules | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2009-06-02 | — | — | US | disclosed |
| US-7541456-B2 | Enolization; dimerization; trimerization; for synthesis of sugar molecules | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2009-06-02 | — | — | US | disclosed |
| US-20050197498-A1 | Enolization; dimerization; trimerization; for synthesis of sugar molecules | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2005-09-08 | — | — | US | disclosed |