⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24827793 | 0.90 | MEN1 (0.35) | — | |
| SCHEMBL23651560 | 0.89 | SIGMAR1 (0.33) | — | |
| SCHEMBL8261455 | 0.89 | SIGMAR1 (0.33) | — | |
| SCHEMBL25134114 | 0.87 | — | — | |
| SCHEMBL18032446 | 0.86 | ALDH1A1 (0.30) | — | |
| SCHEMBL24995328 | 0.86 | IRAK4 (0.31) | — | |
| SCHEMBL26419478 | 0.83 | — | — | |
| SCHEMBL26421943 | 0.81 | — | — | |
| SCHEMBL24827822 | 0.81 | — | — | |
| SCHEMBL24854296 | 0.81 | — | — |
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-20230002382-A1 | SPIRO RING-CONTAINING QUINAZOLINE COMPOUNDS | Wigen Biomedicine Technology (shanghai) Co., Ltd. (CN) | 2023-01-05 | — | — | US | disclosed |