⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9168046 | 0.80 | TSHR (0.35) | — | |
| Acrylonitrile SCHEMBL27771186 | 0.71 | ALDH1A1 (0.33) | — | |
| SCHEMBL8386806 | 0.71 | GLA (0.50) | — | |
| Butadiene SCHEMBL9244822 | 0.70 | — | — | |
| SCHEMBL11419627 | 0.69 | — | — | |
| Methacrylic Acid SCHEMBL2829671 | 0.69 | — | — | |
| SCHEMBL589902 | 0.69 | GLA (0.51) | — | |
| SCHEMBL8465381 | 0.68 | — | — | |
| SCHEMBL8915520 | 0.68 | ALDH1A1 (0.31) | — | |
| Methacrylic Acid SCHEMBL29180105 | 0.67 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5114795-A | Polymer blend films | THE STANDARD OIL COMPANY (US) | 1992-05-19 | — | — | US | claimed |
| EP-0365211-A2 | Multilayered high barrier packaging materials and method for the preparation thereof | THE STANDARD OIL COMPANY (US) | 1990-04-25 | — | — | EP | claimed |