⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24854210 | 0.81 | — | — | |
| SCHEMBL17471307 | 0.80 | GPR119 (0.39) | — | |
| SCHEMBL21227513 | 0.78 | GRIN1 (0.30) | — | |
| SCHEMBL12395684 | 0.76 | — | — | |
| SCHEMBL22252305 | 0.75 | PDK2 (0.31) | — | |
| SCHEMBL19964610 | 0.75 | HTR4 (0.30) | — | |
| SCHEMBL20687918 | 0.73 | — | — | |
| SCHEMBL20689390 | 0.73 | ARG1 (0.30) | — | |
| SCHEMBL26972518 | 0.72 | GBA1 (0.36) | — | |
| SCHEMBL26151533 | 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 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 |