⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8520867 | 1.00 | — | — | |
| SCHEMBL2958602 | 0.92 | — | — | |
| SCHEMBL4344736 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL11748186 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL7289592 | 0.72 | — | — | |
| SCHEMBL1476630 | 0.72 | — | — | |
| SCHEMBL11030443 | 0.70 | MAPK1 (0.31) | — | |
| SCHEMBL10498426 | 0.70 | — | — | |
| SCHEMBL16968087 | 0.70 | TSHR (0.31) | — | |
| SCHEMBL1134012 | 0.70 | — | — |
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-0753506-B1 | 6-Dimethylaminomethyl-1-phenyl-cyclo-hexane compounds as pharmaceutical agents | GRUENENTHAL GMBH (DE) | 1999-08-18 | — | — | EP | disclosed |
| EP-0753506-A1 | 6-Dimethylaminomethyl-1-phenyl-cyclo-hexane compounds as pharmaceutical agents | Grünenthal GmbH (DE) | 1997-01-15 | — | — | EP | disclosed |