⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1053549 | 0.78 | — | — | |
| SCHEMBL7089612 | 0.69 | — | — | |
| SCHEMBL1470760 | 0.65 | — | — | |
| SCHEMBL18829640 | 0.65 | — | — | |
| SCHEMBL18917073 | 0.65 | — | — | |
| SCHEMBL5002284 | 0.65 | — | — | |
| SCHEMBL285825 | 0.64 | — | — | |
| SCHEMBL25439258 | 0.64 | CES2 (0.30) | — | |
| SCHEMBL1472168 | 0.64 | — | — | |
| SCHEMBL15091718 | 0.62 | — | — |
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-0796236-A4 | PROCESSES AND INTERMEDIATES FOR PREPARING MACROCYCLES | UNIV PENNSYLVANIA (US) | 1998-12-02 | — | — | EP | disclosed |