⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9284646 | 0.75 | FDPS (0.50) | — | |
| SCHEMBL176468 | 0.72 | DYRK1A (0.30) | — | |
| SCHEMBL1396074 | 0.70 | — | — | |
| SCHEMBL1272593 | 0.69 | — | — | |
| SCHEMBL1400937 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL4794455 | 0.67 | CCNA2 (0.34) | — | |
| SCHEMBL402279 | 0.67 | — | — | |
| SCHEMBL696662 | 0.66 | KMT2A (0.58) | — | |
| SCHEMBL3196507 | 0.66 | — | — | |
| SCHEMBL15032830 | 0.66 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1644050-B1 | BIFUNCTIONAL TRIDENTATE PYRAZOLYL CONTAINING LIGANDS FOR RE, TC AND MN TRICARBONYL COMPLEXES | MALLINCKRODT INC (US) | 2010-06-09 | — | — | EP | disclosed |
| US-7682601-B2 | Bifunctional tridentate pyrazolyl containing ligands for re and tc tricarbonyl complexes | MALLINCKRODT INC. (US) | 2010-03-23 | — | — | US | disclosed |
| US-20060198785-A1 | Bifunctional tridentate pyrazolyl containing ligands for re and tc tricarbonyl complexes | MALLINCKRODT HOSPITAL PRODUCTS IP UNLIMITED COMPANY (F/K/A MALLINCKRODT HOSPITAL PRODUCTS IP LIMITED) (IE) | 2006-09-07 | — | — | US | disclosed |
| EP-1644050-A1 | BIFUNCTIONAL TRIDENTATE PYRAZOLYL CONTAINING LIGANDS FOR RE, TC AND MN TRICARBONYL COMPLEXES | Mallinckrodt Inc. (US) | 2006-04-12 | — | — | EP | disclosed |
| EP-1529537-A1 | Bifunctional tridentate pyrazolyl containing ligands for RE, TC and MN tricarbonyl complexes | Mallinckrodt International Corporation (US) | 2005-05-11 | — | — | EP | disclosed |
| WO-2004091669-A1 | BIFUNCTIONAL TRIDENTATE PYRAZOLYL CONTAINING LIGANDS FOR RE AND TC TRICARBONYL COMPLEXES | MALLINCKRODT INC. (US) | 2004-10-28 | — | — | WO | disclosed |