⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6911838 | 1.00 | — | — | |
| SCHEMBL2849371 | 0.83 | — | — | |
| SCHEMBL787989 | 0.83 | — | — | |
| SCHEMBL5077944 | 0.82 | SLC22A6 (0.50) | — | |
| SCHEMBL304303 | 0.82 | SLC22A6 (0.50) | — | |
| SCHEMBL23964052 | 0.81 | — | — | |
| Hydrochloric Acid SCHEMBL26640131 | 0.81 | GABRP (0.42) | — | |
| Hydrochloric Acid SCHEMBL26640128 | 0.81 | GABRP (0.42) | — | |
| SCHEMBL75174 | 0.79 | SLC7A5 (0.52) | — | |
| SCHEMBL398726 | 0.79 | SLC7A5 (0.52) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0799050-B1 | RADIOLABELED ANNEXIN-GALACTOSE CLUSTER CONJUGATES | NEORX CORP (US) | 2004-08-11 | — | — | EP | claimed |