⚠ 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 | |
|---|---|---|---|---|
| Methacrylic Acid SCHEMBL8492892 | 0.89 | — | — | |
| Methacrylic Acid SCHEMBL8490230 | 0.84 | ALDH1A1 (0.30) | — | |
| Methacrylic Acid SCHEMBL8491951 | 0.82 | — | — | |
| Methacrylic Acid SCHEMBL8492862 | 0.81 | — | — | |
| Methacrylic Acid SCHEMBL8525114 | 0.81 | TSHR (0.32) | — | |
| Methacrylic Acid SCHEMBL8493411 | 0.77 | — | — | |
| Methacrylic Acid SCHEMBL8492802 | 0.76 | — | — | |
| Methacrylic Acid SCHEMBL28297462 | 0.76 | ALDH1A1 (0.39) | — | |
| Methacrylic Acid SCHEMBL8489942 | 0.76 | BTK (0.34) | — | |
| SCHEMBL269141 | 0.75 | ALDH1A1 (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-5994025-A | MIXTURE OF POLYMER AND ACID GENERATOR | NEC CORPORATION (JP) | 1999-11-30 | — | — | US | disclosed |