⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26420696 | 0.89 | ATM (0.31) | — | |
| SCHEMBL26419160 | 0.84 | — | — | |
| SCHEMBL24995180 | 0.80 | — | — | |
| SCHEMBL26419162 | 0.80 | — | — | |
| SCHEMBL26427571 | 0.80 | CYP1A2 (0.31) | — | |
| SCHEMBL26419155 | 0.76 | PIK3CD (0.36) | — | |
| SCHEMBL26420909 | 0.75 | ATM (0.31) | — | |
| SCHEMBL9883846 | 0.73 | ATM (0.32) | — | |
| SCHEMBL26420702 | 0.72 | CYP1A2 (0.39) | — | |
| SCHEMBL13711905 | 0.72 | SIGMAR1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230128824-A1 | SPIRO RING-CONTAINING QUINAZOLINE COMPOUND | Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) | 2023-04-27 | — | — | US | disclosed |