⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29322282 | 0.93 | — | — | |
| SCHEMBL24649085 | 0.93 | — | — | |
| SCHEMBL24649084 | 0.93 | — | — | |
| SCHEMBL25330920 | 0.82 | ARG1 (0.32) | — | |
| SCHEMBL25331176 | 0.82 | ARG1 (0.32) | — | |
| SCHEMBL25329101 | 0.81 | CYP4F2 (0.33) | — | |
| SCHEMBL24649072 | 0.78 | — | — | |
| SCHEMBL26964317 | 0.76 | — | — | |
| SCHEMBL24697316 | 0.72 | CYP4F2 (0.39) | — | |
| SCHEMBL22208201 | 0.72 | ARG1 (0.44) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118556063-A | Heterocyclic compound, pharmaceutical composition and application thereof | 上海湃隆生物科技有限公司 | 2024-08-27 | — | — | CN | disclosed |
| WO-2023138583-A1 | HETEROCYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION AND USE THEREOF | 上海湃隆生物科技有限公司 | 2023-07-27 | — | — | WO | disclosed |