⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8871736 | 0.83 | CTSS (0.30) | — | |
| SCHEMBL9354977 | 0.69 | SMN1; SMN2 (0.50) | — | |
| SCHEMBL5178000 | 0.68 | TET2 (0.33) | — | |
| SCHEMBL10661075 | 0.67 | PTPN1 (0.48) | — | |
| SCHEMBL4943012 | 0.67 | TET2 (0.36) | — | |
| SCHEMBL676152 | 0.66 | TET2 (0.37) | — | |
| SCHEMBL4945451 | 0.65 | — | — | |
| SCHEMBL10660832 | 0.65 | POLQ (0.43) | — | |
| SCHEMBL4627065 | 0.64 | TET2 (0.33) | — | |
| SCHEMBL810647 | 0.64 | TET2 (0.31) | — |
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 |