⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17346242 | 0.92 | — | — | |
| SCHEMBL17346334 | 0.89 | — | — | |
| SCHEMBL17346178 | 0.87 | — | — | |
| SCHEMBL17346439 | 0.81 | — | — | |
| SCHEMBL17346326 | 0.80 | — | — | |
| SCHEMBL17346442 | 0.79 | — | — | |
| SCHEMBL17346237 | 0.79 | — | — | |
| SCHEMBL17346306 | 0.78 | — | — | |
| SCHEMBL17346430 | 0.78 | — | — | |
| SCHEMBL17346396 | 0.78 | OPRK1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10550139-B2 | Polydentate ligands and their complexes for molecular catalysis | TRIAD NATIONAL SECURITY, LLC (US) | 2020-02-04 | — | — | US | disclosed |
| US-20170088571-A1 | POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS | TRIAD NATIONAL SECURITY, LLC | 2017-03-30 | — | — | US | disclosed |
| US-20170088571-A1 | POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS | TRIAD NATIONAL SECURITY, LLC | 2017-03-30 | — | — | US | disclosed |
| WO-2015191505-A1 | POLYDENTATE LIGANDS AND THEIR COMPLEXES FOR MOLECULAR CATALYSIS | LOS ALAMOS NATIONAL SECURITY, LLC (US) | 2015-12-17 | — | — | WO | disclosed |