⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21439770 | 0.79 | CA1 (0.34) | — | |
| SCHEMBL7366636 | 0.78 | SLC6A2 (0.30) | — | |
| SCHEMBL27800222 | 0.78 | — | — | |
| SCHEMBL16568872 | 0.78 | CA1 (0.35) | — | |
| SCHEMBL11220405 | 0.77 | CHRNB2 (0.32) | — | |
| SCHEMBL861271 | 0.77 | — | — | |
| SCHEMBL27979639 | 0.77 | — | — | |
| SCHEMBL175416 | 0.77 | CHRNB2 (0.32) | — | |
| SCHEMBL2189615 | 0.77 | — | — | |
| SCHEMBL3366367 | 0.76 | CHRM2 (0.31) | — |
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-2005030704-A1 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE, INC. (CA) | 2005-04-07 | — | — | WO | claimed |