⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27633772 | 0.79 | THRB (0.34) | — | |
| SCHEMBL15090810 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL18760116 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL28603466 | 0.77 | HDAC1 (0.33) | — | |
| SCHEMBL15062380 | 0.77 | MEN1 (0.30) | — | |
| SCHEMBL8221198 | 0.77 | MEN1 (0.31) | — | |
| SCHEMBL28358615 | 0.77 | THRB (0.32) | — | |
| SCHEMBL5606645 | 0.76 | HDAC1 (0.35) | — | |
| SCHEMBL14322367 | 0.74 | HDAC1 (0.33) | — | |
| Ammonia Solution, Strong SCHEMBL8509907 | 0.73 | HDAC1 (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 |
|---|---|---|---|---|---|---|---|
| CN-100462389-C | Crosslinkable aromatic resin having protonic acid group, and ion conductive polymer membrane, binder and fuel cell using the resin | MITSUI CHEMICALS INC (JP) | 2009-02-18 | — | — | CN | disclosed |