⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23486786 | 0.76 | — | — | |
| Acetonitrile SCHEMBL20135601 | 0.72 | SLC6A4 (0.33) | — | |
| SCHEMBL23486615 | 0.69 | — | — | |
| SCHEMBL23288610 | 0.69 | TP53 (0.41) | — | |
| SCHEMBL26371398 | 0.67 | — | — | |
| SCHEMBL24289456 | 0.67 | — | — | |
| SCHEMBL26168212 | 0.66 | DPP4 (0.31) | — | |
| SCHEMBL9393516 | 0.66 | EPHX2 (0.33) | — | |
| SCHEMBL4456910 | 0.66 | EPHX2 (0.33) | — | |
| SCHEMBL18773606 | 0.66 | EPHX2 (0.33) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021110076-A1 | OXAMIDE DERIVATIVES, PREPARATION METHOD THEREFOR AND USE THEREOF IN MEDICINE | 深圳信立泰药业股份有限公司 | 2021-06-10 | — | — | WO | disclosed |