⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18543785 | 1.00 | — | — | |
| SCHEMBL18543787 | 1.00 | — | — | |
| SCHEMBL18543781 | 0.87 | — | — | |
| SCHEMBL18543793 | 0.87 | — | — | |
| SCHEMBL17919941 | 0.81 | L3MBTL1 (0.33) | — | |
| SCHEMBL13793409 | 0.81 | L3MBTL1 (0.33) | — | |
| SCHEMBL16224995 | 0.81 | L3MBTL1 (0.33) | — | |
| SCHEMBL19418920 | 0.79 | SIGMAR1 (0.35) | — | |
| SCHEMBL5684791 | 0.79 | SIGMAR1 (0.35) | — | |
| SCHEMBL12599088 | 0.74 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3733663-B1 | 1-[6-[[4-(PHENYLAMINO)-6-QUINAZOLINYL]OXY]-3-AZABICYCLO[3.1.1]HEPT-3-YL]-2-PROPEN-1-ONE DERIVATIVES AND RELATED COMPOUNDS AS IRREVERSIBLE INHIBITORS OF PAN-HER TYROSINE KINASE FOR THE TREATMENT OF CANCER | CHENGDU JINRUI FOUND BIOTECH CO LTD (CN) | 2023-05-17 | — | — | EP | disclosed |
| WO-2021197250-A1 | NOVEL COMPOUND AS REARRANGED DURING TRANSFECTION KINASE INHIBITOR | 南京天印健华医药科技有限公司 | 2021-10-07 | — | — | WO | disclosed |