⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22639078 | 0.81 | — | — | |
| SCHEMBL22639095 | 0.79 | — | — | |
| SCHEMBL22639105 | 0.78 | HDAC2 (0.55) | — | |
| SCHEMBL22639104 | 0.78 | HDAC2 (0.55) | — | |
| SCHEMBL6964110 | 0.75 | — | — | |
| SCHEMBL22639096 | 0.75 | — | — | |
| SCHEMBL2597101 | 0.75 | HDAC4 (0.37) | — | |
| SCHEMBL22290 | 0.73 | — | — | |
| SCHEMBL1259101 | 0.71 | — | — | |
| SCHEMBL11674811 | 0.71 | TSHR (0.50) | — |
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-2020226150-A1 | COMPOUND AND PRODUCTION METHOD THEREOF, RESIN, COMPOSITION, RESIST FILM, PATTERN FORMING METHOD, UNDERLAYER FILM FOR LITHOGRAPHY, OPTICAL COMPONENT, AND METHOD FOR PURIFYING COMPOUND OR RESIN | 学校法人 関西大学 | 2020-11-12 | — | — | WO | disclosed |