⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10705227 | 0.76 | — | — | |
| SCHEMBL628937 | 0.76 | — | — | |
| SCHEMBL27702567 | 0.76 | — | — | |
| SCHEMBL6009664 | 0.75 | — | — | |
| SCHEMBL5065848 | 0.74 | — | — | |
| SCHEMBL1895315 | 0.72 | — | — | |
| SCHEMBL10503463 | 0.72 | CES2 (0.44) | — | |
| SCHEMBL11640003 | 0.72 | CES2 (0.44) | — | |
| SCHEMBL10503240 | 0.72 | CES2 (0.44) | — | |
| SCHEMBL9695051 | 0.72 | CES2 (0.44) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6004531-A | LIGANDS FOR RADIOPHARMACEUTICALS; CAPABLE OF CHELATING RADIOMETAL SPECIES AND OF BEING BOUND TO BIOLOGICAL TARGETING MOLECULES | NYCOMED AMERSHAM PLC (GB) | 1999-12-21 | — | — | US | disclosed |
| US-5932707-A | Thioether-containing metal chelating compounds | NYCOMED AMERSHAM PLC (GB) | 1999-08-03 | — | — | US | disclosed |
| WO-1994022816-A1 | METAL CHELATING COMPOUNDS | AMERSHAM INTERNATIONAL PLC (GB) | 1994-10-13 | — | — | WO | disclosed |
| EP-0618191-A1 | Metal chelating compounds | AMERSHAM INTERNATIONAL plc (GB) | 1994-10-05 | — | — | EP | disclosed |