⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL402087 | 0.97 | — | — | |
| SCHEMBL992303 | 0.82 | — | — | |
| SCHEMBL41363 | 0.82 | — | — | |
| SCHEMBL2492063 | 0.78 | — | — | |
| SCHEMBL3370142 | 0.78 | — | — | |
| SCHEMBL2493724 | 0.78 | — | — | |
| SCHEMBL12090678 | 0.72 | — | — | |
| SCHEMBL2492397 | 0.69 | — | — | |
| SCHEMBL47598 | 0.69 | — | — | |
| SCHEMBL12263259 | 0.69 | — | — |
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-8101701-B2 | having a hydrophilic group and a silicon-containing alkyl group within molecule; lenses with high oxygen permeability independent from the water content may be obtained, wherein the fumaric acid derivatives is superior in compatibility with the hydrophilic monomer used in combination | MENICON NECT CO., LTD. (JP) | 2012-01-24 | — | — | US | disclosed |
| EP-1930338-A1 | Fumaric acid derivates and ophtalmic lenses using the same | E-brain Corporation Ltd. (JP) | 2008-06-11 | — | — | EP | disclosed |
| US-20080132666-A1 | Fumaric Acid Derivatives and Ophthalmic Lenses Using the Same | MENICON NECT CO., LTD. (JP) | 2008-06-05 | — | — | US | disclosed |