⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1426960 | 1.00 | — | — | |
| SCHEMBL26980545 | 0.85 | — | — | |
| SCHEMBL29696957 | 0.84 | GPR84 (0.32) | — | |
| SCHEMBL449004 | 0.84 | GPR84 (0.32) | — | |
| SCHEMBL9186966 | 0.84 | — | — | |
| SCHEMBL30829735 | 0.82 | PARP1 (0.36) | — | |
| SCHEMBL656754 | 0.82 | PARP1 (0.36) | — | |
| SCHEMBL28852118 | 0.82 | — | — | |
| SCHEMBL3107123 | 0.81 | — | — | |
| SCHEMBL284553 | 0.81 | GABRA1 (0.39) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118833939-A | Low-phosphorus sulfur-free corrosion and scale inhibitor for boiler and preparation method thereof | 河北德福佳昌化工有限公司 | 2024-10-25 | — | — | CN | claimed |
| CN-118833939-A | Low-phosphorus sulfur-free corrosion and scale inhibitor for boiler and preparation method thereof | 河北德福佳昌化工有限公司 | 2024-10-25 | — | — | CN | disclosed |
| CN-115232144-B | Nitrogen-containing condensed ring derivative, pharmaceutical composition, and preparation method and application thereof | 长春金赛药业有限责任公司 | 2024-04-02 | — | — | CN | disclosed |
| US-11505718-B2 | Barrier ruthenium chemical mechanical polishing slurry | FUJIFILM ELECTRONIC MATERIALS U.S.A., INC. (US) | 2022-11-22 | — | — | US | disclosed |
| CN-115232144-A | Nitrogen-containing fused ring derivative, pharmaceutical composition, preparation method and application thereof | 长春金赛药业有限责任公司 | 2022-10-25 | — | — | CN | disclosed |