⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30976797 | 0.91 | — | — | |
| SCHEMBL31700438 | 0.76 | SLC6A2 (0.31) | — | |
| SCHEMBL23595010 | 0.73 | SIGMAR1 (0.47) | — | |
| SCHEMBL30411839 | 0.73 | SIGMAR1 (0.47) | — | |
| SCHEMBL30976885 | 0.71 | EPHX2 (0.39) | — | |
| SCHEMBL30686593 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL31078432 | 0.70 | JAK2 (0.34) | — | |
| SCHEMBL30808911 | 0.68 | — | — | |
| SCHEMBL23671522 | 0.68 | — | — | |
| SCHEMBL26863453 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024140679-A1 | SPIROCYCLIC HPK1 ANTAGONISTS AND USES THEREOF | INSILICO MEDICINE IP LIMITED (CN) | 2024-07-04 | — | — | WO | disclosed |