⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22328050 | 0.73 | MAPK1 (0.33) | — | |
| SCHEMBL24854231 | 0.72 | — | — | |
| SCHEMBL24089317 | 0.67 | — | — | |
| SCHEMBL25477205 | 0.67 | GAA (0.31) | — | |
| SCHEMBL24854355 | 0.66 | JAK2 (0.31) | — | |
| SCHEMBL18408609 | 0.63 | — | — | |
| SCHEMBL22328049 | 0.62 | METAP2 (0.33) | — | |
| SCHEMBL17030758 | 0.62 | MAPK1 (0.33) | — | |
| SCHEMBL25799614 | 0.62 | CYP1A2 (0.32) | — | |
| SCHEMBL17030759 | 0.62 | IDO1 (0.41) | — |
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 |