⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL272519 | 0.85 | — | — | |
| SCHEMBL5746492 | 0.77 | CYP11B1 (0.31) | — | |
| SCHEMBL977662 | 0.67 | — | — | |
| SCHEMBL260501 | 0.67 | — | — | |
| SCHEMBL976789 | 0.67 | — | — | |
| SCHEMBL17110580 | 0.65 | — | — | |
| SCHEMBL5089395 | 0.65 | — | — | |
| SCHEMBL5100265 | 0.65 | — | — | |
| SCHEMBL78459 | 0.65 | — | — | |
| SCHEMBL1045331 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8481327-B2 | Methods for using congeneric, chlorinated, brominated and/or iodised, fluorinated aromatic standard compounds having two benzol rings | CHIRON AS (NO) | 2013-07-09 | — | — | US | disclosed |
| US-20110229973-A1 | CONGENERIC, CHLORINATED, BROMINATED AND/OR IODISED, FLUORINATED AROMATIC COMPOUNDS COMPRISING TWO BENZOL RINGS IN THEIR BASIC STRUCTURE, METHOD FOR THEIR PRODUCTION AND USE THEREOF | CHIRON AS (NO) | 2011-09-22 | — | — | US | disclosed |
| US-20070298501-A1 | Congeneric, Chlorinated, Brominated And/Or Iodised, Fluorinated Aromatic Compounds Comprising Two Benzol Rings In Their Basic Structure, Method For Their Production And Use Thereof | CHIRON AS (NO) | 2007-12-27 | — | — | US | disclosed |
| WO-2005077868-A2 | CONGENERIC, CHLORINATED, BROMINATED AND/OR IODISED, FLUORINATED AROMATIC COMPOUNDS COMPRISING TWO BENZOL RINGS IN THEIR BASIC STRUCTURE, METHOD FOR THEIR PRODUCTION AND USE THEREOF | CHIRON AS (NO) | 2005-08-25 | — | — | WO | disclosed |