⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9918611 | 1.00 | — | — | |
| Bromide SCHEMBL30063554 | 0.98 | HTT (0.36) | — | |
| SCHEMBL8386307 | 0.84 | — | — | |
| SCHEMBL12559248 | 0.81 | — | — | |
| SCHEMBL7118036 | 0.74 | — | — | |
| SCHEMBL29799474 | 0.74 | — | — | |
| SCHEMBL783585 | 0.74 | — | — | |
| SCHEMBL1440581 | 0.74 | — | — | |
| SCHEMBL25036984 | 0.70 | — | — | |
| SCHEMBL846275 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2025061148-A1 | HETEROARYL COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE | 江苏恒瑞医药股份有限公司 | 2025-03-27 | — | — | WO | disclosed |
| EP-4337198-A1 | POLO LIKE KINASE 4 INHIBITORS | Oric Pharmaceuticals, Inc. (US) | 2024-03-20 | — | — | EP | disclosed |
| WO-2022240876-A1 | POLO LIKE KINASE 4 INHIBITORS | ORIC PHARMACEUTICALS, INC. (US) | 2022-11-17 | — | — | WO | disclosed |
| WO-2022094172-A2 | INHIBITORS OF BTK | NEWAVE PHARMACEUTICAL INC. (US) | 2022-05-05 | — | — | WO | disclosed |