⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21733602 | 0.73 | NOS1 (0.31) | — | |
| SCHEMBL26420404 | 0.72 | — | — | |
| SCHEMBL26420406 | 0.69 | CDK2 (0.32) | — | |
| SCHEMBL18408609 | 0.69 | — | — | |
| SCHEMBL21938210 | 0.68 | IDO1 (0.38) | — | |
| SCHEMBL20858119 | 0.68 | TRPV1 (0.35) | — | |
| SCHEMBL24854355 | 0.67 | JAK2 (0.31) | — | |
| SCHEMBL12110234 | 0.67 | METAP2 (0.46) | — | |
| SCHEMBL24285781 | 0.67 | IDO1 (0.34) | — | |
| SCHEMBL24854886 | 0.65 | — | — |
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 |