⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4668899 | 0.68 | AKR1C3 (0.48) | — | |
| SCHEMBL4668901 | 0.68 | AKR1C3 (0.48) | — | |
| SCHEMBL4668904 | 0.68 | AKR1C3 (0.48) | — | |
| SCHEMBL23538793 | 0.68 | AKR1C3 (0.48) | — | |
| SCHEMBL5036242 | 0.68 | ATM (0.32) | — | |
| SCHEMBL5038351 | 0.68 | DPP4 (0.36) | — | |
| SCHEMBL25183379 | 0.68 | PIK3CD (0.34) | — | |
| SCHEMBL15286772 | 0.67 | SLC6A7 (0.39) | — | |
| SCHEMBL11963146 | 0.66 | MAP3K12 (0.38) | — | |
| SCHEMBL11963519 | 0.66 | MAP3K12 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230117470-A1 | SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS | SYNGENE INTERNATIONAL LIMITED (IN) | 2023-04-20 | — | — | US | disclosed |
| CN-114929345-A | Substituted pyrazole compounds as TOLL receptor inhibitors | 百时美施贵宝公司 | 2022-08-19 | — | — | CN | disclosed |
| WO-2021087181-A1 | SUBSTITUTED PYRAZOLE COMPOUNDS AS TOLL RECEPTOR INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-05-06 | — | — | WO | disclosed |