⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23160709 | 0.80 | — | — | |
| SCHEMBL29706081 | 0.79 | MIF (0.42) | — | |
| SCHEMBL2521327 | 0.78 | — | — | |
| SCHEMBL28292181 | 0.78 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL28681584 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL30838779 | 0.77 | MIF (0.41) | — | |
| SCHEMBL8323403 | 0.74 | — | — | |
| SCHEMBL8323409 | 0.74 | — | — | |
| SCHEMBL8542073 | 0.74 | — | — | |
| SCHEMBL27473923 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-1990010661-A1 | FREE-RADICAL CURABLE COMPOSITIONS | DESOTO, INC. (US) | 1990-09-20 | — | — | WO | disclosed |
| WO-1990010662-A1 | FREE-RADICAL CURABLE COMPOSITIONS | DESOTO, INC. (US) | 1990-09-20 | — | — | WO | disclosed |