⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1577007 | 0.83 | — | — | |
| SCHEMBL298545 | 0.83 | — | — | |
| SCHEMBL10719763 | 0.81 | HCAR2 (0.61) | — | |
| SCHEMBL27496110 | 0.78 | HCAR2 (0.70) | — | |
| SCHEMBL20812638 | 0.78 | ALOX15 (0.53) | — | |
| SCHEMBL20094750 | 0.78 | ALOX15 (0.53) | — | |
| SCHEMBL3411551 | 0.78 | HDAC3 (0.58) | — | |
| SCHEMBL1380341 | 0.78 | ALOX15 (0.53) | — | |
| SCHEMBL13373589 | 0.77 | ALOX15 (1.00) | — | |
| SCHEMBL4043347 | 0.77 | ALOX15 (0.51) | — |
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-104861026-A | Furan skeleton included 2H-pyrazole hydroxamic acid C21 steroid saponin aglycone derivative and preparation method and application thereof | JIANGSU NATURE BIOLOG ENGINEERING TECHNOLOGY CO LTD | 2015-08-26 | — | — | CN | disclosed |
| CN-104861026-A | Furan skeleton included 2H-pyrazole hydroxamic acid C21 steroid saponin aglycone derivative and preparation method and application thereof | JIANGSU NATURE BIOLOG ENGINEERING TECHNOLOGY CO LTD | 2015-08-26 | — | — | CN | disclosed |