⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18677926 | 0.94 | — | — | |
| SCHEMBL18674494 | 0.85 | — | — | |
| SCHEMBL18674474 | 0.84 | — | — | |
| SCHEMBL18674503 | 0.84 | — | — | |
| SCHEMBL18677961 | 0.83 | IDH1 (0.30) | — | |
| SCHEMBL18677889 | 0.79 | — | — | |
| SCHEMBL14721808 | 0.79 | CYP1A2 (0.31) | — | |
| SCHEMBL18677962 | 0.79 | — | — | |
| SCHEMBL14720769 | 0.71 | CYP1A2 (0.39) | — | |
| SCHEMBL14720800 | 0.70 | MEN1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20170089913-A1 | NEW CHROMOPHORIC STRUCTURES FOR LANTHANIDE CHELATES | RADIOMETER TURKU OY (FI) | 2017-03-30 | — | — | US | disclosed |