⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL448009 | 0.85 | — | — | |
| SCHEMBL6886120 | 0.84 | ADRB2 (0.36) | — | |
| SCHEMBL1173107 | 0.77 | — | — | |
| SCHEMBL1347694 | 0.71 | — | — | |
| SCHEMBL1065458 | 0.71 | — | — | |
| SCHEMBL959883 | 0.71 | — | — | |
| SCHEMBL1348428 | 0.71 | — | — | |
| SCHEMBL959289 | 0.71 | — | — | |
| SCHEMBL23440179 | 0.69 | — | — | |
| SCHEMBL169603 | 0.69 | — | — |
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-104968740-B | Primary rust preventive coating composition and coated steel structure coated with the same | 关西涂料株式会社 | 2016-11-02 | — | — | CN | disclosed |
| CN-104968740-A | Primary rust preventive coating composition and coated steel structure coated with the same | KANSAI PAINT CO LTD | 2015-10-07 | — | — | CN | disclosed |