⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12440852 | 0.73 | — | — | |
| SCHEMBL11947941 | 0.73 | — | — | |
| SCHEMBL8362160 | 0.73 | — | — | |
| SCHEMBL1697357 | 0.72 | — | — | |
| SCHEMBL2612750 | 0.72 | — | — | |
| Hydrochloric Acid SCHEMBL10352287 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL10352288 | 0.71 | — | — | |
| SCHEMBL15944214 | 0.69 | — | — | |
| SCHEMBL16848451 | 0.69 | — | — | |
| SCHEMBL19880338 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8852550-B2 | Chelator conjugates | GE HEALTHCARE LIMITED (GB) | 2014-10-07 | — | — | US | disclosed |
| US-20100040542-A1 | CHELATOR CONJUGATES | GE HEALTHCARE LIMITED (GB) | 2010-02-18 | — | — | US | disclosed |