⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25658335 | 1.00 | — | — | |
| SCHEMBL25695512 | 1.00 | — | — | |
| SCHEMBL16872865 | 0.72 | — | — | |
| SCHEMBL16872864 | 0.72 | — | — | |
| SCHEMBL17922036 | 0.69 | — | — | |
| SCHEMBL11335759 | 0.69 | — | — | |
| SCHEMBL16115410 | 0.69 | — | — | |
| SCHEMBL11335762 | 0.69 | — | — | |
| SCHEMBL1012126 | 0.67 | — | — | |
| SCHEMBL12591114 | 0.67 | MAPT (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3202767-A1 | AZABICYCLO DERIVATIVES, PROCESS FOR PREPARATION THEREOF AND MEDICAL USE THEREOF | Shanghai Haiyan Pharmaceutical Technology Co., Ltd. (CN) | 2017-08-09 | — | — | EP | disclosed |