⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16215263 | 0.78 | — | — | |
| SCHEMBL3250426 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL10468387 | 0.74 | — | — | |
| SCHEMBL10468389 | 0.74 | — | — | |
| SCHEMBL15400270 | 0.74 | — | — | |
| SCHEMBL13458953 | 0.72 | — | — | |
| SCHEMBL8996103 | 0.72 | — | — | |
| SCHEMBL16356372 | 0.72 | — | — | |
| SCHEMBL2053698 | 0.72 | CYP3A4 (0.31) | — | |
| SCHEMBL21700271 | 0.71 | — | — |
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-1799729-A1 | FUNCTIONAL SILOXANES AND SILANES AND THEIR VINYL CO-POLYMERS | Honeywell International, Inc. (US) | 2007-06-27 | — | — | EP | claimed |
| WO-2006014328-A1 | FUNCTIONAL SILOXANES AND SILANES AND THEIR VINYL CO-POLYMERS | HONEYWELL INTERNATIONAL INC. (US) | 2006-02-09 | — | — | WO | claimed |
| US-20130165682-A1 | METHOD FOR THE SYNTHESIS OF AN AMINO ACETAL | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2013-06-27 | — | — | US | disclosed |