⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23486615 | 0.79 | — | — | |
| SCHEMBL23486409 | 0.76 | — | — | |
| SCHEMBL12200376 | 0.75 | NPC1 (0.34) | — | |
| SCHEMBL13652632 | 0.75 | — | — | |
| SCHEMBL14359727 | 0.71 | NPC1 (0.46) | — | |
| SCHEMBL18330523 | 0.71 | — | — | |
| SCHEMBL5236196 | 0.69 | NPC1 (0.50) | — | |
| SCHEMBL11228022 | 0.69 | NPC1 (0.50) | — | |
| SCHEMBL15362702 | 0.69 | NPC1 (0.50) | — | |
| SCHEMBL2976961 | 0.69 | NPC1 (0.50) | — |
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 |