⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9317684 | 0.70 | — | — | |
| SCHEMBL29225715 | 0.70 | — | — | |
| SCHEMBL8333878 | 0.70 | — | — | |
| SCHEMBL576247 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL576327 | 0.67 | CA1 (0.33) | — | |
| SCHEMBL576896 | 0.67 | CA1 (0.39) | — | |
| SCHEMBL13729696 | 0.63 | — | — | |
| SCHEMBL3755387 | 0.61 | SLC22A6 (0.34) | — | |
| SCHEMBL152453 | 0.60 | CA1 (0.35) | — | |
| SCHEMBL12340484 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1708728-B | Radiation-sensitive resin composition | JSR CORP | 2011-03-16 | — | — | CN | disclosed |
| CN-101533224-A | Radiation-sensitive resin composition | JSR CORP (JP) | 2009-09-16 | — | — | CN | disclosed |
| CN-1708728-A | Radiation-sensitive resin composition | JSR CORP (JP) | 2005-12-14 | — | — | CN | disclosed |