⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14612470 | 0.84 | — | — | |
| SCHEMBL6182001 | 0.79 | — | — | |
| SCHEMBL291471 | 0.69 | — | — | |
| SCHEMBL932186 | 0.65 | — | — | |
| SCHEMBL19489328 | 0.65 | — | — | |
| SCHEMBL14206033 | 0.65 | — | — | |
| SCHEMBL6845460 | 0.64 | — | — | |
| SCHEMBL9336084 | 0.64 | — | — | |
| SCHEMBL15240201 | 0.64 | — | — | |
| SCHEMBL27527391 | 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-2027096-A1 | SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS | Bayer HealthCare AG (DE) | 2009-02-25 | — | — | EP | disclosed |
| WO-2007134862-A1 | SUBSTITUTED ARYLIMIDAZ0L0NE AND TRIAZ0L0NE AS INHIBITORS OF VASOPRESSIN RECEPTORS | BAYER HEALTHCARE AG (DE) | 2007-11-29 | — | — | WO | disclosed |
| EP-1673463-A1 | METHOD FOR TRANSFORMING EPOXY CARRIER OF TRIFLUOROMETHYL GROUPS | Rhodia Chimie (FR) | 2006-06-28 | — | — | EP | disclosed |
| WO-2005038036-A1 | METHOD FOR TRANSFORMING EPOXY CARRIER OF TRIFLUOROMETHYL GROUPS | RHODIA CHIMIE (FR) | 2005-04-28 | — | — | WO | disclosed |