⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17200862 | 0.72 | — | — | |
| SCHEMBL603294 | 0.70 | — | — | |
| SCHEMBL7791044 | 0.64 | — | — | |
| SCHEMBL465955 | 0.63 | — | — | |
| SCHEMBL22028092 | 0.61 | — | — | |
| SCHEMBL5350646 | 0.61 | OR51E2 (0.32) | — | |
| SCHEMBL388193 | 0.61 | — | — | |
| Ethylene Glycol SCHEMBL10478791 | 0.61 | — | — | |
| SCHEMBL21633952 | 0.59 | — | — | |
| SCHEMBL16922257 | 0.59 | — | — |
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-2023131122-A1 | FUSED RING-SUBSTITUTED SIX-MEMBERED HETEROCYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF | 劲方医药科技(上海)有限公司 | 2023-07-13 | — | — | WO | disclosed |
| EP-3072897-B1 | SPIROKETAL DERIVATIVES AND USE THEREOF AS DIABETIC MEDICINE | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2019-06-26 | — | — | EP | disclosed |