⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12834878 | 0.76 | CHRNB2 (0.31) | — | |
| SCHEMBL12834873 | 0.75 | MAPT (0.31) | — | |
| SCHEMBL12429866 | 0.74 | — | — | |
| SCHEMBL13115566 | 0.73 | ALDH1A1 (0.36) | — | |
| SCHEMBL879033 | 0.73 | CAPN9 (0.34) | — | |
| SCHEMBL24421788 | 0.72 | RAB9A (0.30) | — | |
| SCHEMBL12643983 | 0.71 | TP53 (0.31) | — | |
| SCHEMBL18819679 | 0.70 | ADRB2 (0.31) | — | |
| SCHEMBL12190141 | 0.70 | — | — | |
| SCHEMBL12834488 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1296190-B1 | Positive resist composition | FUJIFILM CORP (JP) | 2010-05-05 | — | — | EP | disclosed |