⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2728918 | 0.82 | CYP2A6 (0.47) | — | |
| SCHEMBL7674625 | 0.76 | — | — | |
| SCHEMBL18964946 | 0.76 | — | — | |
| SCHEMBL2902974 | 0.73 | — | — | |
| SCHEMBL28040446 | 0.73 | POLB (0.32) | — | |
| SCHEMBL1155925 | 0.73 | — | — | |
| SCHEMBL1630903 | 0.71 | — | — | |
| SCHEMBL1491435 | 0.71 | — | — | |
| SCHEMBL1630901 | 0.71 | — | — | |
| SCHEMBL21549405 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20240239764-A1 | SUBSTITUTED AMINOBENZYL HETEROARYL COMPOUNDS AS EGFR AND/OR PI3K INHIBITORS | THE REGENTS OF THE UNIVERSITY OF MICHIGAN | 2024-07-18 | — | — | US | disclosed |
| US-20230212160-A1 | 2,4,6-TRI-SUBSTITUTED PYRIMIDINE COMPOUNDS AS ATR KINASE INHIBITORS | BEIJING TIDE PHARMACEUTICAL CO., LTD. (CN) | 2023-07-06 | — | — | US | disclosed |