⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1592368 | 0.89 | — | — | |
| SCHEMBL1945672 | 0.87 | ALDH1A1 (0.42) | — | |
| Acrylic Acid Methyl Ester SCHEMBL30231895 | 0.84 | — | — | |
| Methacrylic Acid SCHEMBL1454403 | 0.84 | NAAA (0.38) | — | |
| SCHEMBL23494190 | 0.83 | — | — | |
| Methacrylic Acid SCHEMBL4802536 | 0.83 | ALDH1A1 (0.32) | — | |
| SCHEMBL1592322 | 0.82 | — | — | |
| SCHEMBL890907 | 0.80 | — | — | |
| SCHEMBL29733210 | 0.80 | — | — | |
| SCHEMBL29733265 | 0.80 | — | — |
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-4986648-A | MOISTURE RESISTANCE | HITACHI CHEMICAL COMPANY, LTD. (JP) | 1991-01-22 | — | — | US | disclosed |