⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30967997 | 0.79 | CHRM2 (0.40) | — | |
| SCHEMBL23245394 | 0.78 | FFAR3 (0.33) | — | |
| SCHEMBL23245392 | 0.78 | FFAR3 (0.33) | — | |
| SCHEMBL8118495 | 0.76 | — | — | |
| SCHEMBL30967999 | 0.76 | — | — | |
| SCHEMBL31065795 | 0.73 | CYP1A2 (0.31) | — | |
| SCHEMBL4885541 | 0.73 | — | — | |
| SCHEMBL31065791 | 0.73 | — | — | |
| SCHEMBL29936860 | 0.72 | — | — | |
| SCHEMBL25242456 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024131942-A1 | CYCLOPROPANE TLR7 AND TLR8 INHIBITOR, PREPARATION METHOD THEREFOR, AND USE THEREOF | 上海深势唯思科技有限责任公司 | 2024-06-27 | — | — | WO | disclosed |
| CN-118239959-A | Cyclopropane TLR7 and 8 inhibitor and preparation method and application thereof | 上海深势唯思科技有限责任公司 | 2024-06-25 | — | — | CN | disclosed |