⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17346144 | 0.92 | ALDH1A1 (0.31) | — | |
| SCHEMBL17346281 | 0.90 | PAOX (0.35) | — | |
| SCHEMBL17346276 | 0.89 | ALDH1A1 (0.36) | — | |
| SCHEMBL17346148 | 0.85 | ALDH1A1 (0.33) | — | |
| SCHEMBL10144492 | 0.81 | PAOX (0.33) | — | |
| SCHEMBL17346173 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL14980591 | 0.79 | PAOX (0.36) | — | |
| SCHEMBL17346297 | 0.78 | CYP2C9 (0.31) | — | |
| SCHEMBL14980593 | 0.77 | CYP2C19 (0.40) | — | |
| SCHEMBL23975243 | 0.76 | TSHR (0.42) | — |
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 |