⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30425332 | 0.67 | LMNA (0.36) | — | |
| SCHEMBL12809688 | 0.67 | — | — | |
| SCHEMBL12994154 | 0.64 | MGLL (0.34) | — | |
| SCHEMBL29728149 | 0.64 | GRM2 (0.38) | — | |
| SCHEMBL20012640 | 0.64 | PARP1 (0.32) | — | |
| SCHEMBL1860704 | 0.63 | — | — | |
| SCHEMBL20649571 | 0.62 | ALDH1A1 (0.31) | — | |
| SCHEMBL17934702 | 0.62 | — | — | |
| SCHEMBL14405225 | 0.61 | — | — | |
| SCHEMBL297319 | 0.61 | MEN1 (0.54) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-110650963-B | Polymorphs and solid forms of GDC-0077 and process for preparing the same | 豪夫迈·罗氏有限公司 | 2022-09-27 | — | — | CN | disclosed |