⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2440557 | 0.85 | ALDH1A1 (0.40) | — | |
| SCHEMBL3122938 | 0.81 | TSHR (0.44) | — | |
| SCHEMBL19969885 | 0.81 | TSHR (0.44) | — | |
| SCHEMBL8482041 | 0.77 | — | — | |
| SCHEMBL927451 | 0.77 | — | — | |
| SCHEMBL3629035 | 0.76 | — | — | |
| SCHEMBL6052846 | 0.75 | — | — | |
| SCHEMBL14323516 | 0.73 | ALOX15 (0.52) | — | |
| SCHEMBL29673032 | 0.72 | ALDH1A1 (0.46) | — | |
| SCHEMBL22639508 | 0.72 | ALDH1A1 (0.46) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025226861-A1 | CYCLIN INHIBITORS | CIRCLE PHARMA, INC. (US) | 2025-10-30 | — | — | WO | disclosed |
| WO-2020221294-A1 | BRIDGE RING-3,4-DIHYDRO-PYRIDO[1,2-A]PYRAZINE-1,8-DIONE COMPOUND AND PHARMACEUTICAL USE THEREOF | 上海拓界生物医药科技有限公司 | 2020-11-05 | — | — | WO | disclosed |
| US-20190185479-A1 | BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND | MITSUBISHI TANABE PHARMA CORPORATION (JP) | 2019-06-20 | — | — | US | disclosed |