⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6046412 | 0.93 | — | — | |
| SCHEMBL3888342 | 0.83 | — | — | |
| SCHEMBL235304 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL17201496 | 0.74 | TSHR (0.31) | — | |
| SCHEMBL670675 | 0.72 | — | — | |
| SCHEMBL4779247 | 0.72 | — | — | |
| SCHEMBL9559568 | 0.72 | — | — | |
| SCHEMBL758165 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL5497835 | 0.71 | — | — | |
| SCHEMBL243240 | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2350144-B1 | PROCATALYST COMPOSITION INCLUDING SILYL ESTER INTERNAL DONOR AND METHOD | GRACE W R & CO (US) | 2015-07-15 | — | — | EP | disclosed |
| US-8088872-B2 | Procatalyst composition including silyl ester internal donor and method | DOW GLOBAL TECHNOLOGIES LLC (US) | 2012-01-03 | — | — | US | disclosed |
| EP-2350144-A1 | PROCATALYST COMPOSITION INCLUDING SILYL ESTER INTERNAL DONOR AND METHOD | Dow Global Technologies LLC (US) | 2011-08-03 | — | — | EP | disclosed |
| WO-2010065361-A1 | PROCATALYST COMPOSITION INCLUDING SILYL ESTER INTERNAL DONOR AND METHOD | DOW GLOBAL TECHNOLOGIES INC. (US) | 2010-06-10 | — | — | WO | disclosed |
| US-20100130709-A1 | Procatalyst Composition Including Silyl Ester Internal Donor and Method | W. R. GRACE & CO.-CONN. | 2010-05-27 | — | — | US | disclosed |