⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3267739 | 0.78 | — | — | |
| Phosphine SCHEMBL27645652 | 0.73 | — | — | |
| SCHEMBL154871 | 0.65 | EHMT2 (0.31) | — | |
| SCHEMBL3480583 | 0.64 | HPGD (0.41) | — | |
| SCHEMBL369555 | 0.64 | — | — | |
| SCHEMBL27529884 | 0.63 | PKM (0.37) | — | |
| SCHEMBL27369237 | 0.63 | HAO1 (0.53) | — | |
| SCHEMBL27365650 | 0.63 | — | — | |
| SCHEMBL15227444 | 0.63 | — | — | |
| SCHEMBL27880926 | 0.62 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 | claimed |
| EP-1644050-A1 | BIFUNCTIONAL TRIDENTATE PYRAZOLYL CONTAINING LIGANDS FOR RE, TC AND MN TRICARBONYL COMPLEXES | Mallinckrodt Inc. (US) | 2006-04-12 | — | — | EP | claimed |
| EP-1529537-A1 | Bifunctional tridentate pyrazolyl containing ligands for RE, TC and MN tricarbonyl complexes | Mallinckrodt International Corporation (US) | 2005-05-11 | — | — | EP | claimed |
| WO-2004091669-A1 | BIFUNCTIONAL TRIDENTATE PYRAZOLYL CONTAINING LIGANDS FOR RE AND TC TRICARBONYL COMPLEXES | MALLINCKRODT INC. (US) | 2004-10-28 | — | — | WO | claimed |
| 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 |
| 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 |