⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8272925 | 0.80 | NQO1 (0.34) | — | |
| SCHEMBL2279816 | 0.78 | SLC6A4 (0.35) | — | |
| SCHEMBL3373368 | 0.78 | ALOX5 (0.32) | — | |
| SCHEMBL13242141 | 0.77 | GABRB3 (0.31) | — | |
| SCHEMBL16373610 | 0.76 | SLC6A4 (0.37) | — | |
| SCHEMBL12884424 | 0.76 | BCL2 (0.33) | — | |
| SCHEMBL13217770 | 0.71 | NQO1 (0.33) | — | |
| SCHEMBL765894 | 0.70 | NQO1 (0.35) | — | |
| SCHEMBL12731449 | 0.69 | CYP1A2 (0.33) | — | |
| SCHEMBL6957884 | 0.69 | PTGER4 (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 |
|---|---|---|---|---|---|---|---|
| US-20100216796-A1 | N-HYDROXY-NAPHTHALENE DICARBOXAMIDE AND N-HYDROXY-BIPHENYL-DICARBOXAMIDE COMPOUNDS AS HISTONE DEACETYLASE INHIBITORS | KATTAR SOLOMON | 2010-08-26 | — | — | US | disclosed |