⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2337812 | 0.83 | — | — | |
| Ether SCHEMBL1638308 | 0.75 | — | — | |
| SCHEMBL329934 | 0.74 | — | — | |
| SCHEMBL27885175 | 0.71 | — | — | |
| SCHEMBL2169901 | 0.70 | NQO1 (0.32) | — | |
| SCHEMBL369085 | 0.68 | — | — | |
| Benzyl Alcohol SCHEMBL28607632 | 0.68 | TSHR (0.42) | — | |
| SCHEMBL27235611 | 0.67 | — | — | |
| SCHEMBL2992488 | 0.66 | CA1 (0.33) | — | |
| SCHEMBL6678415 | 0.64 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1418198-B1 | Primer coating composition and coating method | SHINETSU CHEMICAL CO (JP) | 2007-08-15 | — | — | EP | disclosed |
| US-6855768-B2 | Coating composition, coating method, and coated article | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2005-02-15 | — | — | US | disclosed |
| US-20040087711-A1 | Coating composition, coating method, and coated article | SHIN-ETSU CHEMICAL CO., LTD. | 2004-05-06 | — | — | US | disclosed |