⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL537902 | 0.98 | ALDH1A1 (0.31) | — | |
| SCHEMBL1584754 | 0.92 | CA12 (0.42) | — | |
| SCHEMBL9165789 | 0.92 | — | — | |
| SCHEMBL16862763 | 0.91 | ALDH1A1 (0.35) | — | |
| SCHEMBL1702628 | 0.90 | TSHR (0.41) | — | |
| SCHEMBL49685 | 0.90 | CA12 (0.42) | — | |
| SCHEMBL57169 | 0.87 | CYP2C19 (0.42) | — | |
| SCHEMBL7911603 | 0.85 | TDP1 (0.46) | — | |
| SCHEMBL1702424 | 0.82 | EPHX1 (0.32) | — | |
| SCHEMBL7898957 | 0.82 | PAOX (0.35) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7737242-B2 | Crosslinkable siloxane urea copolymers | WACKER CHEMIE AG (DE) | 2010-06-15 | — | — | US | disclosed |
| US-7645516-B2 | Cross-linkable siloxane urea copolymers | WACKER CHEMIE AG (DE) | 2010-01-12 | — | — | US | disclosed |
| EP-1784442-B1 | CROSSLINKABLE SILOXANE UREA COPOLYMERS | WACKER CHEMIE AG (DE) | 2009-10-07 | — | — | EP | disclosed |
| US-20090143496-A1 | CROSSLINKABLE SILOXANE-UREA COPOLYMERS | WACKER CHEMIE AG (DE) | 2009-06-04 | — | — | US | disclosed |
| US-20080045671-A1 | Cross-Linkable Siloxane Urea Copolymers | WACKER CHEMIE AG (DE) | 2008-02-21 | — | — | US | disclosed |
| US-20070232772-A1 | Crosslinkable Siloxane Urea Copolymers | WACKER CHEMIE AG (DE) | 2007-10-04 | — | — | US | disclosed |
| EP-1817364-A2 | CROSSLINKABLE SILOXANE-UREA COPOLYMERS | Wacker Chemie AG (DE) | 2007-08-15 | — | — | EP | disclosed |
| EP-1784442-A1 | CROSSLINKABLE SILOXANE UREA COPOLYMERS | Wacker Chemie AG (DE) | 2007-05-16 | — | — | EP | disclosed |
| EP-1771496-A1 | CROSS-LINKABLE SILOXANE UREA COPOLYMERS | Wacker Chemie AG (DE) | 2007-04-11 | — | — | EP | disclosed |
| WO-2006058656-A2 | CROSSLINKABLE SILOXANE-UREA COPOLYMERS | WACKER CHEMIE AG (DE) | 2006-06-08 | — | — | WO | disclosed |
| WO-2006021371-A1 | CROSSLINKABLE SILOXANE UREA COPOLYMERS | WACKER CHEMIE AG (DE) | 2006-03-02 | — | — | WO | disclosed |
| WO-2006010486-A1 | CROSS-LINKABLE SILOXANE UREA COPOLYMERS | WACKER CHEMIE AG (DE) | 2006-02-02 | — | — | WO | disclosed |