⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8741566 | 0.88 | — | — | |
| SCHEMBL8741569 | 0.79 | — | — | |
| SCHEMBL5313282 | 0.77 | POLB (0.30) | — | |
| SCHEMBL25769641 | 0.74 | CYP2D6 (0.42) | — | |
| SCHEMBL6131608 | 0.74 | CYP2D6 (0.32) | — | |
| SCHEMBL7460121 | 0.70 | ADRB2 (0.36) | — | |
| SCHEMBL7127257 | 0.64 | GAA (0.35) | — | |
| SCHEMBL23979216 | 0.63 | — | — | |
| SCHEMBL15116744 | 0.61 | GAA (0.30) | — | |
| SCHEMBL10504890 | 0.60 | LMNA (0.41) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0629617-B2 | Heteroatom-bearing ligands and metal complexes thereof | BRACCO INT BV (NL) | 2007-09-26 | — | — | EP | claimed |
| CN-1055685-C | Heteroatom-bearing ligands and metal complexes thereof | BRAKER INTERNAT B V (NL) | 2000-08-23 | — | — | CN | claimed |
| EP-0629617-B1 | Heteroatom-bearing ligands and metal complexes thereof | BRACCO INT BV (NL) | 1998-04-29 | — | — | EP | claimed |
| US-5665329-A | Heteroatom-bearing ligands and metal complexes thereof | BRACCO INTERNATIONAL B.V. | 1997-09-09 | — | — | US | claimed |
| US-5627286-A | Heteroatom-bearing ligands and metal complexes thereof | BRACCO INTERNATIONAL B.V. | 1997-05-06 | — | — | US | claimed |
| CN-1099388-A | Heteroatom-bearing ligands and metal complexes thereof | BRISTOL MYERS SQIBB COMPANY (US) | 1995-03-01 | — | — | CN | claimed |
| EP-0629617-A1 | Heteroatom-bearing ligands and metal complexes thereof | BRACCO International B.V. (NL) | 1994-12-21 | — | — | EP | claimed |
| EP-0629617-B2 | Heteroatom-bearing ligands and metal complexes thereof | BRACCO INT BV (NL) | 2007-09-26 | — | — | EP | disclosed |
| EP-0629617-B1 | Heteroatom-bearing ligands and metal complexes thereof | BRACCO INT BV (NL) | 1998-04-29 | — | — | EP | disclosed |
| US-5741912-A | DIAGNOSIS, THERAPY | BRACCO INTERNATIONAL B.V. | 1998-04-21 | — | — | US | disclosed |
| US-5665329-A | Heteroatom-bearing ligands and metal complexes thereof | BRACCO INTERNATIONAL B.V. | 1997-09-09 | — | — | US | disclosed |
| US-5656254-A | Polyaza heteroatom-bearing ligands and metal complexes thereof for imaging or radiotherapy | BRACCO INTERNATIONAL B.V. | 1997-08-12 | — | — | US | disclosed |
| US-5627286-A | Heteroatom-bearing ligands and metal complexes thereof | BRACCO INTERNATIONAL B.V. | 1997-05-06 | — | — | US | disclosed |
| US-5608110-A | Heteroatom-bearing ligands and metal complexes thereof | BRACCO INTERNATIONAL B.V. | 1997-03-04 | — | — | US | disclosed |
| CN-1099388-A | Heteroatom-bearing ligands and metal complexes thereof | BRISTOL MYERS SQIBB COMPANY (US) | 1995-03-01 | — | — | CN | disclosed |