⚠ 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 | |
|---|---|---|---|---|
| Styrene SCHEMBL28318969 | 0.97 | ALDH1A1 (0.88) | — | |
| Styrene SCHEMBL8465847 | 0.97 | ALDH1A1 (1.00) | — | |
| Styrene SCHEMBL140 | 0.97 | — | — | |
| Styrene SCHEMBL8100955 | 0.97 | ALDH1A1 (1.00) | — | |
| Styrene SCHEMBL1226310 | 0.97 | ALDH1A1 (1.00) | — | |
| Styrene SCHEMBL10892600 | 0.97 | ALDH1A1 (1.00) | — | |
| Styrene SCHEMBL9776790 | 0.97 | ALDH1A1 (1.00) | — | |
| Styrene SCHEMBL369036 | 0.97 | ALDH1A1 (1.00) | — | |
| Styrene SCHEMBL6258482 | 0.97 | ALDH1A1 (1.00) | — | |
| Styrene SCHEMBL4986035 | 0.97 | ALDH1A1 (1.00) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103539627-B | Manufacture cinnamic method | SINOPEC CORP. (CN) | 2015-09-09 | — | — | CN | disclosed |
| CN-103539627-A | Method of preparing styrene | CHINA PETROLEUM & CHEMICAL | 2014-01-29 | — | — | CN | disclosed |