⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6654056 | 0.80 | THRB (0.30) | — | |
| SCHEMBL11196262 | 0.75 | — | — | |
| SCHEMBL11146425 | 0.72 | THRB (0.37) | — | |
| SCHEMBL3142811 | 0.72 | THRB (0.37) | — | |
| SCHEMBL4731732 | 0.71 | — | — | |
| SCHEMBL3693291 | 0.69 | — | — | |
| SCHEMBL27920823 | 0.67 | ALDH1A1 (0.32) | — | |
| SCHEMBL3447715 | 0.65 | — | — | |
| SCHEMBL1049835 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL1054094 | 0.64 | ALDH1A1 (0.33) | — |
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-1124870-B1 | CROSS-LINKABLE POLYMERS, METHOD FOR THE PRODUCTION THEREOF, AND SHAPED BODIES MADE OF CROSS-LINKED POLYMERS | DEGUSSA (DE) | 2004-07-14 | — | — | EP | disclosed |
| US-6528585-B1 | Containing silane groups having hydrolyzable radical by free-radical initiated grafting with an olefinically unsaturated silane having hydrolyzable radical, grafting is carried out in presence of alkylsilane or fluoroalkylsilane | DEGUSSA AG (DE) | 2003-03-04 | — | — | US | disclosed |
| EP-1124870-A1 | CROSS-LINKABLE POLYMERS, METHOD FOR THE PRODUCTION THEREOF, AND SHAPED BODIES MADE OF CROSS-LINKED POLYMERS | Degussa Aktiengesellschaft (DE) | 2001-08-22 | — | — | EP | disclosed |
| WO-2000023486-A1 | CROSS-LINKABLE POLYMERS, METHOD FOR THE PRODUCTION THEREOF, AND SHAPED BODIES MADE OF CROSS-LINKED POLYMERS | DEGUSSA AKTIENGESELLSCHAFT (DE) | 2000-04-27 | — | — | WO | disclosed |