⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24843777 | 0.81 | GBA1 (0.31) | — | |
| SCHEMBL24584509 | 0.81 | GBA1 (0.31) | — | |
| SCHEMBL24558824 | 0.81 | GBA1 (0.31) | — | |
| SCHEMBL18725036 | 0.78 | — | — | |
| SCHEMBL19734418 | 0.76 | GBA1 (0.32) | — | |
| SCHEMBL31691604 | 0.71 | — | — | |
| SCHEMBL26125394 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL30988141 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL32666817 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL27041312 | 0.68 | — | — |
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-20220048888-A1 | PYRIMIDINYL-HETEROARYLOXY-NAPHTHYL COMPOUNDS AND METHODS OF USE | GENENTECH, INC. | 2022-02-17 | — | — | US | disclosed |