⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7620138 | 0.81 | ZDHHC20 (0.31) | — | |
| SCHEMBL10632860 | 0.79 | ZDHHC20 (0.33) | — | |
| SCHEMBL8066253 | 0.76 | CA12 (0.39) | — | |
| SCHEMBL10647713 | 0.74 | ZDHHC20 (0.41) | — | |
| SCHEMBL10881427 | 0.72 | ZDHHC20 (0.44) | — | |
| SCHEMBL5154233 | 0.71 | — | — | |
| SCHEMBL10629446 | 0.70 | ALDH1A1 (0.30) | — | |
| SCHEMBL11807715 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL3428085 | 0.70 | TSHR (0.44) | — | |
| SCHEMBL10907228 | 0.69 | CASP1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20070015759-A1 | Metasubstituted thiazolidinones, their manufacture and use as a drug | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2007-01-18 | — | — | US | disclosed |