⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL58122 | 0.73 | — | — | |
| SCHEMBL28251853 | 0.72 | — | — | |
| SCHEMBL7647246 | 0.68 | — | — | |
| SCHEMBL10458064 | 0.67 | — | — | |
| SCHEMBL7768426 | 0.67 | — | — | |
| SCHEMBL14388673 | 0.65 | — | — | |
| SCHEMBL13688309 | 0.65 | — | — | |
| Cyanate SCHEMBL28848852 | 0.65 | — | — | |
| SCHEMBL12975960 | 0.65 | — | — | |
| SCHEMBL8927140 | 0.65 | TSHR (0.32) | — |
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-1569984-B1 | SILOXANE POLYMERS WITH QUADRUPLE HYDROGEN BONDING UNITS | SUPRAPOLIX BV (NL) | 2012-01-11 | — | — | EP | disclosed |
| US-7622131-B2 | Siloxane polymers with quadruple hydrogen bonding units | SUPRAPOLIX B.V. (NL) | 2009-11-24 | — | — | US | disclosed |
| US-20060018856-A1 | Siloxane polymers with quadruple hydrogen bonding units | SUPRAPOLIX B.V. (NL) | 2006-01-26 | — | — | US | disclosed |
| EP-1569984-A1 | SILOXANE POLYMERS WITH QUADRUPLE HYDROGEN BONDING UNITS | SupraPolix B.V. (NL) | 2005-09-07 | — | — | EP | disclosed |
| WO-2004052963-A1 | SILOXANE POLYMERS WITH QUADRUPLE HYDROGEN BONDING UNITS | SUPRAPOLIX B.V. (NL) | 2004-06-24 | — | — | WO | disclosed |