⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24853992 | 0.83 | — | — | |
| SCHEMBL24995328 | 0.82 | IRAK4 (0.31) | — | |
| SCHEMBL26421943 | 0.82 | — | — | |
| SCHEMBL24827822 | 0.82 | — | — | |
| SCHEMBL26419402 | 0.82 | — | — | |
| SCHEMBL25935464 | 0.79 | — | — | |
| SCHEMBL18032457 | 0.78 | L3MBTL3 (0.35) | — | |
| SCHEMBL26419480 | 0.78 | ABCB1 (0.33) | — | |
| SCHEMBL16205340 | 0.78 | — | — | |
| SCHEMBL22704068 | 0.77 | — | — |
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 |