⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2389905 | 0.83 | DRD2 (0.43) | — | |
| SCHEMBL8187613 | 0.79 | — | — | |
| SCHEMBL3221521 | 0.77 | TSHR (0.45) | — | |
| SCHEMBL1453524 | 0.75 | ACHE (0.41) | — | |
| SCHEMBL5953196 | 0.75 | KMT2A (0.41) | — | |
| SCHEMBL3054149 | 0.75 | LPL (0.33) | — | |
| SCHEMBL5953069 | 0.74 | DRD3 (0.40) | — | |
| SCHEMBL2864353 | 0.74 | ACHE (0.38) | — | |
| SCHEMBL340725 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL2392823 | 0.72 | HPGD (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 |
|---|---|---|---|---|---|---|---|
| US-9539345-B2 | Method to improve the tumor diagnostic efficiency of multivalent ligands by regulating the stoichiometric ratio between inner surface functionalities and ligand moieties for tumor targeting | KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) | 2017-01-10 | — | — | US | disclosed |
| US-20150265731-A1 | METHOD TO IMPROVE THE TUMOR DIAGNOSTIC EFFICIENCY OF MULTIVALENT LIGANDS BY REGULATING THE STOICHIOMETRIC RATIO BETWEEN INNER SURFACE FUNCTIONALITIES AND LIGAND MOIETIES FOR TUMOR TARGETING | KOREA RESEARCH INSTITUTE OF BIOSCIENCE AND BIOTECHNOLOGY (KR) | 2015-09-24 | — | — | US | disclosed |