⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7042248 | 0.91 | — | — | |
| SCHEMBL4517092 | 0.88 | CES2 (0.48) | — | |
| SCHEMBL8863161 | 0.80 | — | — | |
| SCHEMBL4244087 | 0.73 | CES1 (0.47) | — | |
| SCHEMBL1353582 | 0.73 | CES1 (0.47) | — | |
| SCHEMBL9293686 | 0.73 | — | — | |
| SCHEMBL821275 | 0.71 | — | — | |
| SCHEMBL3415091 | 0.71 | — | — | |
| SCHEMBL866535 | 0.71 | — | — | |
| Ammonia Solution, Strong SCHEMBL2638345 | 0.71 | CES1 (0.45) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2008108377-A1 | CONJUGATED DIENE-BASED POLYMER, METHOD FOR MANUFACTURING THE SAME, AND CONJUGATED DIENE POLYMER COMPOSITION | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2008-09-12 | — | — | WO | disclosed |
| EP-1085022-A1 | A method of manufacturing an acyloxysilane compound having functional groups bonded to silicon atoms via Si-C- bonds | Dow Corning Asia, Ltd. (JP) | 2001-03-21 | — | — | EP | disclosed |
| US-6060620-A | Method for manufacturing an acyloxysilane compound having functional groups bonded to silicon atoms via SI--C bonds | DOW CORNING ASIA, LTD. (JP) | 2000-05-09 | — | — | US | disclosed |