⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2745940 | 0.74 | — | — | |
| SCHEMBL2055584 | 0.73 | — | — | |
| SCHEMBL14510004 | 0.72 | — | — | |
| SCHEMBL11072948 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL28611677 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL3393436 | 0.70 | — | — | |
| SCHEMBL178436 | 0.67 | — | — | |
| SCHEMBL2594715 | 0.67 | — | — | |
| SCHEMBL1443363 | 0.67 | — | — | |
| SCHEMBL23188630 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020232403-A1 | TREATMENT OF FIBROSIS WITH IRE1 SMALL MOLECULE INHIBITORS | CORNELL UNIVERSITY (US) | 2020-11-19 | — | — | WO | disclosed |