⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL843399 | 0.75 | IDO1 (0.34) | — | |
| SCHEMBL842878 | 0.72 | CYP11B2 (0.34) | — | |
| SCHEMBL842755 | 0.70 | CYP11B2 (0.52) | — | |
| SCHEMBL2820053 | 0.69 | CYP11B2 (0.37) | — | |
| SCHEMBL14151644 | 0.66 | — | — | |
| SCHEMBL14151662 | 0.65 | IDO1 (0.32) | — | |
| SCHEMBL842758 | 0.64 | CYP19A1 (0.44) | — | |
| SCHEMBL14151783 | 0.63 | TSHR (0.36) | — | |
| SCHEMBL6335781 | 0.61 | F12 (0.31) | — | |
| SCHEMBL14151852 | 0.61 | DGAT1 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8143278-B2 | Organic compounds | NOVARTIS AG (CH) | 2012-03-27 | — | — | US | disclosed |
| US-20100093711-A1 | ORGANIC COMPOUNDS | NOVARTIS AG (CH) | 2010-04-15 | — | — | US | disclosed |
| EP-2121652-A1 | 4-IMIDAZOLYL-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS ALDOSTERONE/11-BETA-HYDROXYLASE INHIBITORS | Novartis AG (CH) | 2009-11-25 | — | — | EP | disclosed |
| WO-2008076860-A1 | 4-IMIDAZOLYL-1,2,3,4-TETRAHYDROQUINOLINE DERIVATIVES AND THEIR USE AS ALDOSTERONE/11-BETA-HYDROXYLASE INHIBITORS | NOVARTIS AG (CH) | 2008-06-26 | — | — | WO | disclosed |