⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16879790 | 1.00 | — | — | |
| SCHEMBL16879791 | 1.00 | — | — | |
| SCHEMBL31681258 | 0.96 | CYP2D6 (0.31) | — | |
| SCHEMBL10751311 | 0.79 | FGF23 (0.33) | — | |
| SCHEMBL10751308 | 0.79 | FGF23 (0.33) | — | |
| Ether SCHEMBL9594352 | 0.74 | — | — | |
| SCHEMBL15390042 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL9275401 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL99907 | 0.71 | KMT2A (0.49) | — | |
| SCHEMBL8239673 | 0.71 | MEN1 (0.32) | — |
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-2015101928-A1 | FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS ROR GAMMA MODULATORS | AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) | 2015-07-09 | — | — | WO | disclosed |