⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18233152 | 0.87 | — | — | |
| SCHEMBL25797561 | 0.84 | ACHE (0.37) | — | |
| SCHEMBL2742876 | 0.82 | — | — | |
| SCHEMBL16543649 | 0.82 | — | — | |
| SCHEMBL27254599 | 0.82 | — | — | |
| SCHEMBL18119006 | 0.81 | — | — | |
| SCHEMBL13253532 | 0.81 | — | — | |
| SCHEMBL16378874 | 0.80 | — | — | |
| SCHEMBL19805230 | 0.79 | — | — | |
| SCHEMBL13314426 | 0.78 | — | — |
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-20230212204-A1 | REAGENTS AND THEIR USE FOR MODULAR ENANTIODIVERGENT SYNTHESIS OF C-P BONDS | THE SCRIPPS RESEARCH INSTITUTE | 2023-07-06 | — | — | US | disclosed |