⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2152788 | 0.75 | — | — | |
| SCHEMBL19135303 | 0.70 | — | — | |
| SCHEMBL209495 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL28503994 | 0.61 | RAB9A (0.38) | — | |
| SCHEMBL10121150 | 0.59 | — | — | |
| SCHEMBL12854185 | 0.59 | — | — | |
| Water SCHEMBL4608135 | 0.57 | — | — | |
| SCHEMBL7051483 | 0.56 | — | — | |
| SCHEMBL26702 | 0.56 | — | — | |
| SCHEMBL8325180 | 0.55 | RAB9A (0.34) | — |
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-2018072697-A1 | OXADIAZOLE RING-CONTAINING COMPOUND, PREPARATION METHOD THEREFOR, AND INTERMEDIATE, COMPOSITE, AND APPLICATION THEREOF | 上海医药集团股份有限公司 | 2018-04-26 | — | — | WO | disclosed |