⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL154871 | 0.80 | EHMT2 (0.31) | — | |
| SCHEMBL3480583 | 0.79 | HPGD (0.41) | — | |
| SCHEMBL27534134 | 0.79 | EHMT2 (0.48) | — | |
| SCHEMBL369555 | 0.79 | — | — | |
| SCHEMBL28467547 | 0.77 | — | — | |
| SCHEMBL27365650 | 0.77 | — | — | |
| SCHEMBL27369237 | 0.77 | HAO1 (0.53) | — | |
| SCHEMBL27529897 | 0.76 | NOTUM (0.47) | — | |
| SCHEMBL3203798 | 0.76 | — | — | |
| SCHEMBL8838233 | 0.76 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1774268-A | Bifunctional tridentate pyrazolyl containing ligands for rhenium and technetium tricarbonyl complexes | MALLINCKRODT INC (US) | 2006-05-17 | — | — | CN | claimed |
| CN-101928327-A | Bifunctional tridentate pyrazolyl containing ligands for re and tc tricarbonyl complexes | MALLINCKRODT INC | 2010-12-29 | — | — | CN | disclosed |
| CN-1774268-A | Bifunctional tridentate pyrazolyl containing ligands for rhenium and technetium tricarbonyl complexes | MALLINCKRODT INC (US) | 2006-05-17 | — | — | CN | disclosed |