⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1231298 | 0.91 | THRA (0.32) | — | |
| SCHEMBL9167197 | 0.89 | CYP19A1 (0.32) | — | |
| Methacrylic Acid SCHEMBL6987555 | 0.83 | ALDH1A1 (0.31) | — | |
| Methacrylic Acid SCHEMBL28813494 | 0.78 | NAAA (0.32) | — | |
| SCHEMBL439260 | 0.78 | ALDH1A1 (0.34) | — | |
| SCHEMBL25476090 | 0.76 | CYP19A1 (0.32) | — | |
| Methacrylic Acid SCHEMBL8059105 | 0.76 | EPHX1 (0.39) | — | |
| Methacrylic Acid SCHEMBL28842252 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL9421289 | 0.73 | TSHR (0.31) | — | |
| Methacrylic Acid SCHEMBL1798494 | 0.73 | ALDH1A1 (0.35) | — |
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-7910237-B2 | Polymer electrolyte membrane and method for producing polymer electrolyte membrane | CANON KABUSHIKI KAISHA (JP) | 2011-03-22 | — | — | US | disclosed |