⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22328034 | 0.79 | TLR9 (0.33) | — | |
| SCHEMBL20132921 | 0.77 | ROCK2 (0.33) | — | |
| SCHEMBL19104285 | 0.71 | PDPK1 (0.42) | — | |
| SCHEMBL22924139 | 0.68 | — | — | |
| SCHEMBL24854354 | 0.67 | PDPK1 (0.38) | — | |
| SCHEMBL22349111 | 0.66 | GRM4 (0.34) | — | |
| SCHEMBL22349127 | 0.66 | GAA (0.31) | — | |
| SCHEMBL22328057 | 0.66 | PDPK1 (0.41) | — | |
| SCHEMBL23879998 | 0.65 | ROCK1 (0.34) | — | |
| SCHEMBL24854355 | 0.65 | JAK2 (0.31) | — |
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 |