⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5920809 | 1.00 | — | — | |
| SCHEMBL5920340 | 0.91 | — | — | |
| SCHEMBL4597644 | 0.91 | — | — | |
| SCHEMBL5920455 | 0.91 | NR3C1 (0.31) | — | |
| SCHEMBL4596206 | 0.91 | NR3C1 (0.31) | — | |
| SCHEMBL4597646 | 0.88 | — | — | |
| SCHEMBL5920679 | 0.88 | — | — | |
| SCHEMBL4597099 | 0.85 | KRAS (0.30) | — | |
| SCHEMBL5920512 | 0.85 | KRAS (0.30) | — | |
| SCHEMBL1261461 | 0.83 | NR3C1 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1786823-B1 | ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | BAYER SCHERING PHARMA AG (DE) | 2008-01-16 | — | — | EP | disclosed |
| EP-1786823-A1 | ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | Bayer Schering Pharma Aktiengesellschaft (DE) | 2007-05-23 | — | — | EP | disclosed |
| US-20060084652-A1 | Alkylidene-tetrahydronaphthalene derivatives, process for their production and their use as anti-inflammatory agents | SCHERING AG (DE) | 2006-04-20 | — | — | US | disclosed |
| WO-2006027236-A1 | ALKYLIDENE TETRAHYDRONAPHTHALENE DERIVATIVES, METHOD FOR THEIR PRODUCTION AND THEIR USE AS ANTI-INFLAMMATORY AGENTS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2006-03-16 | — | — | WO | disclosed |