⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10710806 | 0.84 | KDM4C (0.44) | — | |
| Hydrochloric Acid SCHEMBL10713210 | 0.83 | KDM4C (0.44) | — | |
| SCHEMBL8768680 | 0.81 | LTA4H (0.47) | — | |
| SCHEMBL2033471 | 0.80 | LNPEP (0.44) | — | |
| SCHEMBL2585866 | 0.79 | EPHX1 (0.47) | — | |
| SCHEMBL29359776 | 0.79 | EPHX1 (0.47) | — | |
| SCHEMBL19445842 | 0.78 | POLB (0.52) | — | |
| Hydrochloric Acid SCHEMBL4087778 | 0.78 | EPHX1 (0.46) | — | |
| SCHEMBL14250016 | 0.78 | CYP2C9 (0.46) | — | |
| SCHEMBL9335651 | 0.76 | EPHX2 (0.47) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2268654-A2 | SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH | The Regents of the University of California (US) | 2011-01-05 | — | — | EP | disclosed |
| WO-2009132020-A2 | SELECTIVE HIGH-AFFINITY POLYDENTATE LIGANDS AND METHODS OF MAKING SUCH | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2009-10-29 | — | — | WO | disclosed |