⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14692404 | 0.78 | ALDH1A1 (0.56) | — | |
| SCHEMBL27483052 | 0.74 | — | — | |
| SCHEMBL13301788 | 0.74 | — | — | |
| SCHEMBL27797411 | 0.74 | — | — | |
| SCHEMBL12956603 | 0.74 | — | — | |
| SCHEMBL4148327 | 0.74 | — | — | |
| SCHEMBL10687844 | 0.74 | — | — | |
| SCHEMBL28191573 | 0.74 | — | — | |
| Mecrylate SCHEMBL15701 | 0.74 | — | — | |
| SCHEMBL790550 | 0.74 | ALDH1A1 (0.52) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0257812-A2 | Nitrile acrylate coating composition containing pendant functionality and a radiation curable process | THE STANDARD OIL COMPANY (US) | 1988-03-02 | — | — | EP | disclosed |
| EP-0245561-A2 | Nitrile acrylate radiation curable coating compositions and the process of making the same | THE STANDARD OIL COMPANY (US) | 1987-11-19 | — | — | EP | disclosed |