⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5853452 | 0.79 | — | — | |
| SCHEMBL17873465 | 0.57 | PTGS2 (0.30) | — | |
| SCHEMBL5954126 | 0.57 | — | — | |
| SCHEMBL9536892 | 0.56 | — | — | |
| SCHEMBL2222055 | 0.54 | PTPN1 (0.36) | — | |
| SCHEMBL9578671 | 0.54 | CYP3A4 (0.40) | — | |
| SCHEMBL14514637 | 0.54 | CA1 (0.58) | — | |
| SCHEMBL2636216 | 0.54 | ALDH1A1 (0.58) | — | |
| SCHEMBL3589633 | 0.54 | NQO1 (0.50) | — | |
| SCHEMBL2947790 | 0.54 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| US-8017775-B2 | 1-2-dihydroquinoline derivative having glucocorticoid receptor binding activity | SANTEN PHARMACEUTICAL CO., LTD. (JP) | 2011-09-13 | — | — | US | disclosed |
| US-20090326009-A1 | Novel 1-2-Dihydroquinoline Derivative Having Glucocorticoid Receptor Binding Activity | Santen Pharmaceutical Co., (JP) | 2009-12-31 | — | — | US | disclosed |