⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30999483 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL14218293 | 0.76 | — | — | |
| SCHEMBL8014141 | 0.71 | — | — | |
| SCHEMBL30391748 | 0.69 | — | — | |
| SCHEMBL5057417 | 0.66 | — | — | |
| SCHEMBL16384863 | 0.66 | — | — | |
| SCHEMBL18759602 | 0.64 | — | — | |
| SCHEMBL11482445 | 0.62 | — | — | |
| SCHEMBL23670239 | 0.61 | — | — | |
| SCHEMBL19284753 | 0.61 | — | — |
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-20100056522-A1 | INTRAOCULAR PRESSURE-LOWERING AGENT COMPRISING COMPOUND HAVING HISTONE DEACETYLASE INHIBITOR EFFECT AS ACTIVE INGREDIENT | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2010-03-04 | — | — | US | disclosed |