⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24928764 | 0.72 | — | — | |
| SCHEMBL24715567 | 0.69 | — | — | |
| SCHEMBL21991048 | 0.63 | HTR3E (0.39) | — | |
| SCHEMBL11043142 | 0.62 | — | — | |
| SCHEMBL4455921 | 0.61 | — | — | |
| SCHEMBL16075828 | 0.56 | — | — | |
| SCHEMBL1533841 | 0.56 | PPARA (0.32) | — | |
| SCHEMBL24595847 | 0.55 | — | — | |
| SCHEMBL16447459 | 0.55 | — | — | |
| SCHEMBL9909114 | 0.54 | — | — |
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-2016042452-A1 | Spirocyclic derivatives | SHIRE INTERNATIONAL GMBH (CH) | 2016-03-24 | — | — | WO | disclosed |