⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8623549 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL8625966 | 0.81 | LMNA (0.32) | — | |
| SCHEMBL25513626 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL25513622 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL25513619 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL7792768 | 0.77 | ALDH1A1 (0.34) | — | |
| SCHEMBL252296 | 0.75 | ALDH1A1 (0.43) | — | |
| SCHEMBL7790930 | 0.74 | PTPN2 (0.33) | — | |
| SCHEMBL8621297 | 0.74 | IDO1 (0.36) | — | |
| SCHEMBL9193381 | 0.74 | ALDH1A1 (0.36) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5786434-A | A CURABLE COPOLYMER COMPRISING A DIALKYLACRYLAMIDE OR METHACRYLAMIDE, A VINYLLACTAM, A BIS(SILICON-CONTAINING ALKYL)FUMARATE MONOMERS; RADIATION TRANSPARENT, HIGH OXYGEN PERMEABILITY | MENICON CO., LTD. (JP) | 1998-07-28 | — | — | US | disclosed |