⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1261980 | 1.00 | — | — | |
| SCHEMBL1261978 | 1.00 | — | — | |
| SCHEMBL3752611 | 0.94 | — | — | |
| SCHEMBL3752616 | 0.94 | — | — | |
| SCHEMBL1260053 | 0.92 | NR3C1 (0.31) | — | |
| SCHEMBL1260056 | 0.92 | NR3C1 (0.31) | — | |
| SCHEMBL1260054 | 0.92 | NR3C1 (0.31) | — | |
| SCHEMBL3747179 | 0.89 | — | — | |
| SCHEMBL3755080 | 0.89 | — | — | |
| SCHEMBL3747182 | 0.89 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7880042-B2 | antiinflammatory agents; (5 alpha ,6 alpha ,8 beta )-2-fluoro-8-methyl-5-[(2-methylquinoline-5-yl)amino]-6-(trifluoromethyl)-5,6,7,8-tetrahydronaphthalene-1,6-diol; side effect reduction | BAYER SCHERING PHARMA AG (DE) | 2011-02-01 | — | — | US | disclosed |
| US-20100298311-A1 | TETRAHYDRONAPHTHALENE DERIVATES, PROCESS FOR PREPARING THEM AND THEIR USE AS ANTIINFLAMMATORY AGENTS | BERGER MARKUS | 2010-11-25 | — | — | US | disclosed |
| US-20070225290-A1 | Tetrahydronaphthalene derivates, processes for preparing them and their use as antiinflammatory agents | BAYER SCHERING PHARMA AG (DE) | 2007-09-27 | — | — | US | disclosed |