⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28133082 | 0.71 | CYP2C9 (0.42) | — | |
| SCHEMBL3708629 | 0.67 | CYP2C9 (0.38) | — | |
| SCHEMBL6156320 | 0.63 | EPHX2 (0.32) | — | |
| SCHEMBL332860 | 0.63 | — | — | |
| SCHEMBL12333489 | 0.62 | — | — | |
| SCHEMBL12333486 | 0.62 | — | — | |
| SCHEMBL4893602 | 0.62 | TSHR (0.35) | — | |
| SCHEMBL5093293 | 0.62 | — | — | |
| SCHEMBL6154898 | 0.61 | EPHX2 (0.38) | — | |
| SCHEMBL13094607 | 0.61 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2048140-A1 | Deuterated chemiluminescent 1,2-dioxetanes | Giri, Brij P. (US) | 2009-04-15 | — | — | EP | disclosed |
| EP-1453822-A4 | DEUTERIUM-BASED CHEMILUMINESCENT 1,2-DIOXETANES | GIRI BRIJ P (US) | 2004-11-24 | — | — | EP | disclosed |
| EP-1453822-A2 | DEUTERIUM-BASED CHEMILUMINESCENT 1,2-DIOXETANES | Giri, Brij P. (US) | 2004-09-08 | — | — | EP | disclosed |
| WO-2003054506-A2 | DEUTERIUM-BASED CHEMILUMINESCENT 1,2-DIOXETANES | GIRI BRIJ PAL (US) | 2003-07-03 | — | — | WO | disclosed |