⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11836880 | 1.00 | — | — | |
| SCHEMBL11836884 | 1.00 | — | — | |
| SCHEMBL19063013 | 0.80 | — | — | |
| SCHEMBL11837352 | 0.77 | — | — | |
| SCHEMBL11837359 | 0.77 | — | — | |
| SCHEMBL8741216 | 0.67 | — | — | |
| SCHEMBL12149464 | 0.67 | — | — | |
| SCHEMBL16297526 | 0.67 | — | — | |
| SCHEMBL3499193 | 0.67 | — | — | |
| SCHEMBL3499190 | 0.67 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022002102-A1 | QUINAZOLINE COMPOUNDS, PREPARATION METHODS AND USES THEREOF | InventisBio Co., Ltd. (CN) | 2022-01-06 | — | — | WO | disclosed |
| US-20190152960-A1 | Apoptosis Inhibitors | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2019-05-23 | — | — | US | disclosed |
| WO-2018014802-A1 | APOPTOSIS INHIBITORS | NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) | 2018-01-25 | — | — | WO | disclosed |