⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9839471 | 0.69 | — | — | |
| SCHEMBL3423022 | 0.67 | — | — | |
| SCHEMBL3386739 | 0.67 | — | — | |
| SCHEMBL8607563 | 0.67 | — | — | |
| SCHEMBL531580 | 0.65 | — | — | |
| SCHEMBL4860781 | 0.62 | — | — | |
| SCHEMBL9481045 | 0.61 | — | — | |
| SCHEMBL11809040 | 0.61 | — | — | |
| SCHEMBL8670646 | 0.61 | — | — | |
| SCHEMBL18439055 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6565828-B2 | Bifunctional chelant for attaching diagnostic metals and therpeutic isotopes to target specific biomolecules; heavy metal detoxification | BRISTOL-MYERS SQUIBB COMPANY | 2003-05-20 | — | — | US | disclosed |
| US-20020004032-A1 | Macrocyclic chelants for metallopharmaceuticals | LANTHEUS MEDICAL IMAGING, INC. | 2002-01-10 | — | — | US | disclosed |
| WO-2001077102-A1 | MACROCYCLIC CHELANTS FOR METALLOPHARMACEUTICALS | BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) | 2001-10-18 | — | — | WO | disclosed |