⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11703251 | 0.83 | — | — | |
| SCHEMBL16487400 | 0.77 | TSHR (0.36) | — | |
| SCHEMBL16487403 | 0.77 | TSHR (0.36) | — | |
| SCHEMBL16487188 | 0.77 | TSHR (0.36) | — | |
| SCHEMBL16487179 | 0.77 | TSHR (0.36) | — | |
| SCHEMBL3905019 | 0.77 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL16487310 | 0.77 | TSHR (0.36) | — | |
| SCHEMBL16487311 | 0.77 | TSHR (0.36) | — | |
| SCHEMBL1011890 | 0.77 | NFKB1 (0.32) | — | |
| SCHEMBL515101 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101479325-B | Polymerizable siloxane-quaternary amine copolymers | BAUSCH & LOMB INCORPROATED | 2013-06-26 | — | — | CN | disclosed |
| CN-101589091-B | Synthesis of cationic silicone prepolymers | BAUSCH & LOMB INCORPROATED | 2012-06-13 | — | — | CN | disclosed |
| CN-101626956-A | Packaging system for contact lenses | BAUSCH & LOMB | 2010-01-13 | — | — | CN | disclosed |
| CN-101589091-A | Synthesis of cationic silicone prepolymers | BAUSCH & LOMB (US) | 2009-11-25 | — | — | CN | disclosed |
| CN-101479325-A | Polymerizable siloxane-quaternary amine copolymers | BAUSCH & LOMB (US) | 2009-07-08 | — | — | CN | disclosed |