⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8562912 | 0.87 | HSD17B10 (0.32) | — | |
| Choline SCHEMBL10490067 | 0.84 | MEN1 (0.39) | — | |
| Trimethylammonium SCHEMBL18256174 | 0.77 | — | — | |
| SCHEMBL17466406 | 0.76 | — | — | |
| SCHEMBL17466349 | 0.76 | — | — | |
| SCHEMBL2099384 | 0.75 | — | — | |
| SCHEMBL300353 | 0.75 | — | — | |
| Sulfuric Acid Dimethyl Ester SCHEMBL7128213 | 0.73 | USP2 (0.39) | — | |
| SCHEMBL9595597 | 0.73 | TSHR (0.36) | — | |
| SCHEMBL14954909 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0881205-A1 | Method for production of allyloxystyrene compounds | LOCTITE CORPORATION (US) | 1998-12-02 | — | — | EP | claimed |
| US-5633411-A | Method for production of allyloxystyrene compounds | LOCTITE CORPORATION (US) | 1997-05-27 | — | — | US | claimed |
| EP-0881205-A1 | Method for production of allyloxystyrene compounds | LOCTITE CORPORATION (US) | 1998-12-02 | — | — | EP | disclosed |
| US-5633411-A | Method for production of allyloxystyrene compounds | LOCTITE CORPORATION (US) | 1997-05-27 | — | — | US | disclosed |