⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1488111 | 0.67 | — | — | |
| SCHEMBL294275 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL247254 | 0.65 | — | — | |
| SCHEMBL18944560 | 0.62 | — | — | |
| SCHEMBL8448440 | 0.62 | ALOX15 (0.42) | — | |
| SCHEMBL25426578 | 0.62 | — | — | |
| SCHEMBL24211045 | 0.62 | — | — | |
| SCHEMBL11317628 | 0.62 | — | — | |
| SCHEMBL2396815 | 0.60 | — | — | |
| SCHEMBL1424511 | 0.51 | — | — |
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-106661043-A | 2-oxa-5-azabicyclo[2.2.1]heptan-3-yl derivatives | 豪夫迈·罗氏有限公司 | 2017-05-10 | — | — | CN | disclosed |