⚠ 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 | |
|---|---|---|---|---|
| Valproic Acid SCHEMBL2789078 | 0.78 | GABRR1 (0.30) | — | |
| Valproic Acid SCHEMBL796614 | 0.75 | CHRM1 (0.30) | — | |
| Valproic Acid SCHEMBL7786936 | 0.71 | CHRM1 (0.36) | — | |
| SCHEMBL7789695 | 0.70 | CHRM1 (0.31) | — | |
| Norleucine SCHEMBL31606414 | 0.66 | — | — | |
| Pentane SCHEMBL7264509 | 0.62 | — | — | |
| Valproic Acid SCHEMBL7781969 | 0.61 | CHRM1 (0.40) | — | |
| Butyric Acid SCHEMBL1331174 | 0.61 | — | — | |
| Valproic Acid SCHEMBL7786602 | 0.61 | HDAC1 (0.40) | — | |
| SCHEMBL7790981 | 0.60 | CHRM1 (0.46) | — |
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-20100143507-A1 | CARBOXYLIC ACID INHIBITORS OF HISTONE DEACETYLASE, GABA TRANSAMINASE AND SODIUM CHANNEL | AUSPEX PHARMACEUTICALS, INC. (US) | 2010-06-10 | — | — | US | disclosed |