⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3671124 | 0.91 | — | — | |
| SCHEMBL969840 | 0.91 | — | — | |
| SCHEMBL14321411 | 0.83 | TTR (0.33) | — | |
| Benzene SCHEMBL28219684 | 0.81 | MEN1 (0.31) | — | |
| Ethylene Glycol SCHEMBL1876642 | 0.81 | — | — | |
| SCHEMBL3309034 | 0.80 | — | — | |
| SCHEMBL9587324 | 0.80 | — | — | |
| Acetic Acid SCHEMBL869816 | 0.79 | FFAR3 (0.35) | — | |
| SCHEMBL27491622 | 0.77 | — | — | |
| SCHEMBL3672561 | 0.77 | — | — |
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-20090062401-A1 | DECALINE-DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS | UNIVERSITAT DORTMUND (DE) | 2009-03-05 | — | — | US | disclosed |
| EP-1841723-A1 | DECALINE DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS | Universität Dortmund (DE) | 2007-10-10 | — | — | EP | disclosed |
| WO-2006069787-A1 | DECALINE-DERIVED COMPOUNDS AS PHARMACEUTICALLY ACTIVE AGENTS | Universität Dortmund (DE) | 2006-07-06 | — | — | WO | disclosed |