⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6435692 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL4946186 | 0.65 | — | — | |
| SCHEMBL9358927 | 0.65 | CYP1A2 (0.45) | — | |
| SCHEMBL31491198 | 0.65 | CES2 (0.31) | — | |
| SCHEMBL17924777 | 0.64 | TSHR (0.38) | — | |
| SCHEMBL4219725 | 0.63 | CA2 (0.39) | — | |
| SCHEMBL13729404 | 0.62 | TSHR (0.33) | — | |
| SCHEMBL4551521 | 0.61 | TET2 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL3183770 | 0.61 | TET2 (0.38) | — | |
| SCHEMBL203037 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120277342-A1 | METHACRYLATE-BASED BULKY SIDE-CHAIN SILOXANE CROSS LINKERS FOR OPTICAL MEDICAL DEVICES | MCGEE JOSEPH A (US) | 2012-11-01 | — | — | US | disclosed |
| US-7344731-B2 | Rigid gas permeable lens material | BAUSCH & LOMB INCORPORATED (US) | 2008-03-18 | — | — | US | disclosed |
| US-20060276605-A1 | Rigid gas permeable lens material | BAUSCH & LOMB INCORPORATED | 2006-12-07 | — | — | US | disclosed |