⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7398587 | 0.67 | — | — | |
| SCHEMBL22467458 | 0.67 | — | — | |
| SCHEMBL28542018 | 0.66 | — | — | |
| SCHEMBL14968770 | 0.65 | — | — | |
| SCHEMBL1007550 | 0.65 | — | — | |
| SCHEMBL30589107 | 0.63 | MKNK1 (0.33) | — | |
| SCHEMBL28160730 | 0.62 | — | — | |
| SCHEMBL27694028 | 0.62 | L3MBTL1 (0.61) | — | |
| SCHEMBL6385934 | 0.58 | RAB9A (0.70) | — | |
| SCHEMBL30141205 | 0.58 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107954999-A | Han oxadiazole rings compound, preparation method, intermediate, composition and application | 上海医药集团股份有限公司 | 2018-04-24 | — | — | CN | disclosed |