⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6031752 | 0.80 | CA1 (0.38) | — | |
| SCHEMBL508742 | 0.77 | ZDHHC20 (0.31) | — | |
| SCHEMBL507906 | 0.76 | ZDHHC20 (0.35) | — | |
| SCHEMBL508829 | 0.69 | USP2 (0.31) | — | |
| SCHEMBL508267 | 0.66 | CASR (0.31) | — | |
| SCHEMBL528216 | 0.65 | CYP1A2 (0.32) | — | |
| SCHEMBL1562994 | 0.65 | HTT (0.53) | — | |
| SCHEMBL27841095 | 0.64 | USP2 (0.30) | — | |
| SCHEMBL18204281 | 0.63 | L3MBTL1 (0.33) | — | |
| SCHEMBL19473646 | 0.62 | USP2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1716436-A1 | (METH) ACRYLAMIDE MONOMERS CONTAINING HYDROXY AND SILICONE FUNCTIONALITIES AND POLYMERS MADE THEREFROM | Johnson and Johnson Vision Care, Inc. (US) | 2006-11-02 | — | — | EP | disclosed |
| WO-2005078482-A1 | (METH)ACRYLAMIDE MONOMERS CONTAINING HYDROXY AND SILICONE FUNCTIONALITIES AND POLYMERS MADE THEREFROM | JOHNSON & JOHNSON VISION CARE, INC. (US) | 2005-08-25 | — | — | WO | disclosed |