⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4875716 | 0.81 | — | — | |
| SCHEMBL283741 | 0.70 | — | — | |
| SCHEMBL793260 | 0.69 | — | — | |
| SCHEMBL746597 | 0.69 | — | — | |
| SCHEMBL1841731 | 0.67 | — | — | |
| SCHEMBL12293646 | 0.66 | THRB (0.35) | — | |
| SCHEMBL11688053 | 0.65 | — | — | |
| SCHEMBL3985297 | 0.64 | — | — | |
| Benzene SCHEMBL7896670 | 0.60 | THRB (0.47) | — | |
| SCHEMBL21090651 | 0.58 | — | — |
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-0810212-B1 | Organic peroxide stabilization with alpha-hydroxyalkyl peroxides | CK WITCO CORP (US) | 2000-04-05 | — | — | EP | claimed |
| EP-0810212-A2 | Organic peroxide stabilization with alpha-hydroxyalkyl peroxides | WITCO CORPORATION (US) | 1997-12-03 | — | — | EP | claimed |
| WO-2008015120-A1 | λ5-Si - SILICATE-FUNCTIONAL PREPOLYMERS | WACKER CHEMIE AG (DE) | 2008-02-07 | — | — | WO | disclosed |