⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL554693 | 0.73 | — | — | |
| SCHEMBL1701819 | 0.71 | — | — | |
| SCHEMBL28842758 | 0.71 | — | — | |
| SCHEMBL189468 | 0.69 | — | — | |
| SCHEMBL1702337 | 0.67 | TP53 (0.39) | — | |
| SCHEMBL3955407 | 0.66 | GAA (0.32) | — | |
| SCHEMBL1104519 | 0.65 | — | — | |
| SCHEMBL1935895 | 0.65 | — | — | |
| SCHEMBL1229590 | 0.65 | — | — | |
| SCHEMBL6786315 | 0.65 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9528179-B2 | Treatment of steel surfaces | WACKER CHEMIE AG (DE) | 2016-12-27 | — | — | US | disclosed |
| CN-103906858-B | The processing of steel surface | WACKER CHEMIE AG (DE) | 2016-05-18 | — | — | CN | disclosed |
| US-20140295081-A1 | TREATMENT OF STEEL SURFACES | WACKER CHEMIE AG (DE) | 2014-10-02 | — | — | US | disclosed |
| EP-2773794-A1 | TREATMENT OF STEEL SURFACES | Wacker Chemie AG (DE) | 2014-09-10 | — | — | EP | disclosed |
| CN-103906858-A | Treatment of steel surfaces | WACKER CHEMIE AG | 2014-07-02 | — | — | CN | disclosed |
| WO-2013064372-A1 | TREATMENT OF STEEL SURFACES | WACKER CHEMIE AG (DE) | 2013-05-10 | — | — | WO | disclosed |