⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12401767 | 0.80 | ALDH1A1 (0.37) | — | |
| SCHEMBL331830 | 0.80 | ALOX5AP (0.35) | — | |
| SCHEMBL331986 | 0.75 | MEP1B (0.35) | — | |
| SCHEMBL3532638 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL331545 | 0.74 | NR3C1 (0.35) | — | |
| SCHEMBL332087 | 0.73 | AR (0.31) | — | |
| SCHEMBL14405259 | 0.71 | ALDH1A1 (0.36) | — | |
| SCHEMBL331581 | 0.70 | IMPDH2 (0.33) | — | |
| SCHEMBL14200085 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL3532329 | 0.68 | CTSS (0.36) | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8097627-B2 | Multiply-substituted tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents | Bayer Pharma AG (DE) | 2012-01-17 | — | — | US | disclosed |
| US-20100144742-A1 | MULTIPLY-SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | REHWINKEL HARTMUT | 2010-06-10 | — | — | US | disclosed |
| US-7659297-B2 | improved selectivity and pharmacokinetic properties; 6-Fluoro-1-[(1 H-indazol-4-yl)amino]-4,4-dimethyl-2-(trifluoromethyl)-1,2,3,4-tetrahydronaphthalene-2,5-diol; cyclization of imines | Bayer Schering Pharma, AG (DE) | 2010-02-09 | — | — | US | disclosed |
| US-20080153859-A1 | MULTIPLY-SUBSTITUTED TETRAHYDRONAPHTHALENE DERIVATIVES, PROCESS FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | REHWINKEL HARTMUT | 2008-06-26 | — | — | US | disclosed |
| EP-1670458-B1 | 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS | SCHERING AG (DE) | 2006-12-20 | — | — | EP | disclosed |
| EP-1670458-A1 | 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS | SCHERING AKTIENGESELLSCHAFT (DE) | 2006-06-21 | — | — | EP | disclosed |
| US-20050272823-A1 | Tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2005-12-08 | — | — | US | disclosed |
| US-20050222154-A1 | Multiply-substituted tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2005-10-06 | — | — | US | disclosed |
| WO-2005034939-A1 | 1-AMINO-2-OXY-SUBSTITUTED TETRAHYDRONAPHTALENE DERIVATIVES, METHODS FOR THE PRODUCTION THEREOF, AND THEIR USE AS ANTIPHLOGISTICS | SCHERING AKTIENGESELLSCHAFT (DE) | 2005-04-21 | — | — | WO | disclosed |