⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL893738 | 0.78 | — | — | |
| SCHEMBL26045001 | 0.76 | — | — | |
| SCHEMBL2990953 | 0.74 | — | — | |
| SCHEMBL21086508 | 0.72 | — | — | |
| SCHEMBL17007 | 0.71 | — | — | |
| SCHEMBL18423072 | 0.70 | CA1 (0.34) | — | |
| SCHEMBL2020877 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL2694408 | 0.69 | — | — | |
| Fluoride SCHEMBL28027752 | 0.69 | — | — | |
| SCHEMBL17765043 | 0.68 | APLNR (0.31) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10968203-B2 | Pyrimidinyl-pyridyloxy-naphthyl compounds and methods of treating IRE1-related diseases and disorders | GENENTECH, INC. (US) | 2021-04-06 | — | — | US | disclosed |
| CN-111247136-A | Pyrimidinyl-pyridyloxy-naphthyl compounds and methods of treating diseases and disorders associated with IRE1 | 吉宁特有限公司 | 2020-06-05 | — | — | CN | disclosed |
| US-20180265497-A1 | PYRIMIDINYL-PYRIDYLOXY-NAPHTHYL COMPOUNDS AND METHODS OF TREATING IRE1-RELATED DISEASES AND DISORDERS | GENENTECH, INC. (US) | 2018-09-20 | — | — | US | disclosed |
| WO-2018166528-A1 | PYRIMIDINYL-PYRIDYLOXY-NAPHTHYL COMPOUNDS AND METHODS OF TREATING IRE1-RELATED DISEASES AND DISORDERS | GENENTECH, INC. (US) | 2018-09-20 | — | — | WO | disclosed |