⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL538872 | 0.87 | — | — | |
| SCHEMBL3910942 | 0.83 | NR1I2 (0.37) | — | |
| SCHEMBL3391572 | 0.83 | NR1I2 (0.37) | — | |
| SCHEMBL7712053 | 0.83 | NR1I2 (0.37) | — | |
| SCHEMBL525450 | 0.83 | — | — | |
| SCHEMBL9357001 | 0.79 | NR1I2 (0.32) | — | |
| SCHEMBL28228326 | 0.79 | NR1I2 (0.32) | — | |
| SCHEMBL24071271 | 0.78 | LMNA (0.32) | — | |
| SCHEMBL29180273 | 0.78 | FOLH1 (0.36) | — | |
| SCHEMBL15135655 | 0.78 | FOLH1 (0.36) | — |
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-6730788-B1 | COUPLING WITH KETONE IN PRESENCE OF LANTHANIDE II METAL COMPOUND | UNIVERSITY OF NOTRE DAME | 2004-05-04 | — | — | US | disclosed |