⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4477092 | 0.78 | KDM4E (0.31) | — | |
| SCHEMBL13756677 | 0.74 | PTGS1 (0.37) | — | |
| SCHEMBL13763086 | 0.69 | — | — | |
| SCHEMBL13762912 | 0.66 | PTGS1 (0.35) | — | |
| SCHEMBL3421038 | 0.58 | ALOX5 (0.35) | — | |
| SCHEMBL5319343 | 0.57 | HTR2C (0.33) | — | |
| SCHEMBL16558073 | 0.55 | EPHX2 (0.39) | — | |
| SCHEMBL4473870 | 0.55 | MAOA (0.31) | — | |
| SCHEMBL21293273 | 0.54 | TSHR (0.37) | — | |
| SCHEMBL5771956 | 0.54 | PTGS1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1836183-A2 | SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS | Galileo Pharmaceuticals, Inc. (US) | 2007-09-26 | — | — | EP | disclosed |
| WO-2006065686-A2 | SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS | GALILEO PHARMACEUTICALS, INC. (US) | 2006-06-22 | — | — | WO | disclosed |