⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18101497 | 0.76 | POLB (0.32) | — | |
| SCHEMBL18101496 | 0.74 | CYP19A1 (0.32) | — | |
| SCHEMBL4545432 | 0.68 | MMP9 (0.32) | — | |
| SCHEMBL31147778 | 0.67 | MEN1 (0.31) | — | |
| SCHEMBL6406435 | 0.66 | — | — | |
| SCHEMBL14378013 | 0.66 | — | — | |
| SCHEMBL14378002 | 0.64 | MMP9 (0.33) | — | |
| SCHEMBL14554714 | 0.63 | POLB (0.31) | — | |
| SCHEMBL14378009 | 0.62 | MMP9 (0.32) | — | |
| SCHEMBL2046093 | 0.62 | CPT1A (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20160280623-A1 | ASYMMETRIC CATALYTIC DECARBOXYLATIVE ALKYL ALKYLATION USING LOW CATALYST CONCENTRATIONS AND A ROBUST PRECATALYST | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2016-09-29 | — | — | US | disclosed |