⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3222497 | 0.82 | — | — | |
| SCHEMBL3222504 | 0.82 | — | — | |
| Methacrylic Acid SCHEMBL28334060 | 0.80 | ALDH1A1 (0.36) | — | |
| Methacrylic Acid SCHEMBL5595809 | 0.79 | ALDH1A1 (0.40) | — | |
| Methacrylic Acid SCHEMBL6877602 | 0.78 | TP53 (0.32) | — | |
| SCHEMBL709405 | 0.74 | — | — | |
| Methacrylic Acid SCHEMBL29610 | 0.74 | ALDH1A1 (0.44) | — | |
| Methacrylic Acid SCHEMBL4171527 | 0.74 | ALDH1A1 (0.44) | — | |
| Methacrylic Acid SCHEMBL733170 | 0.74 | TP53 (0.44) | — | |
| Methacrylic Acid SCHEMBL3642988 | 0.74 | TP53 (0.44) | — |
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-4725629-A | Process of making an interpenetrating superabsorbent polyurethane foam | KIMBERLY-CLARK CORPORATION (US) | 1988-02-16 | — | — | US | disclosed |