⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3380158 | 0.79 | — | — | |
| SCHEMBL3028657 | 0.74 | — | — | |
| SCHEMBL30655945 | 0.73 | CA1 (0.33) | — | |
| SCHEMBL776698 | 0.73 | CA1 (0.33) | — | |
| Iodide SCHEMBL7252284 | 0.71 | CA1 (0.32) | — | |
| Ammonia Solution, Strong SCHEMBL28986371 | 0.71 | CA1 (0.32) | — | |
| SCHEMBL28525194 | 0.71 | CA1 (0.32) | — | |
| SCHEMBL4740497 | 0.68 | — | — | |
| SCHEMBL145452 | 0.68 | CA1 (0.33) | — | |
| SCHEMBL14669110 | 0.68 | CA1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008098056-A2 | HIGH RELAXIVITY CHELATES | EPIX PHARMACEUTICALS, INC. (US) | 2008-08-14 | — | — | WO | disclosed |