⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3756020 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL3756018 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL3756023 | 0.83 | ALDH1A1 (0.33) | — | |
| SCHEMBL4597487 | 0.82 | CTSS (0.34) | — | |
| SCHEMBL5920505 | 0.82 | CTSS (0.34) | — | |
| SCHEMBL4597490 | 0.82 | CTSS (0.34) | — | |
| SCHEMBL1261140 | 0.80 | ALDH1A1 (0.47) | — | |
| SCHEMBL1261142 | 0.80 | ALDH1A1 (0.47) | — | |
| SCHEMBL1261613 | 0.74 | PDE2A (0.30) | — | |
| SCHEMBL4655511 | 0.74 | PDE2A (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1994005-B9 | TETRAHYDRONAPHTHALINE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS | Bayer Pharma AG (DE) | 2012-01-11 | — | — | EP | disclosed |
| EP-1994005-B1 | TETRAHYDRONAPHTHALINE DERIVATIVES, METHODS FOR THE PRODUCTION AND USE THEREOF AS ANTI-INFLAMMATORY AGENTS | BAYER SCHERING PHARMA AG (DE) | 2011-07-20 | — | — | EP | disclosed |