⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3233349 | 0.80 | — | — | |
| SCHEMBL263579 | 0.64 | — | — | |
| SCHEMBL3674179 | 0.64 | — | — | |
| SCHEMBL451573 | 0.59 | — | — | |
| SCHEMBL542409 | 0.59 | — | — | |
| SCHEMBL42835 | 0.57 | — | — | |
| SCHEMBL9411280 | 0.57 | — | — | |
| SCHEMBL1088156 | 0.56 | — | — | |
| SCHEMBL2137530 | 0.54 | — | — | |
| SCHEMBL12985796 | 0.54 | ALDH1A1 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8575167-B2 | Spiro compounds having stearoyl-CoA desaturase action | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2013-11-05 | — | — | US | disclosed |
| US-20100069351-A1 | SPIRO COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-03-18 | — | — | US | disclosed |