⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11267170 | 0.78 | — | — | |
| SCHEMBL2302733 | 0.78 | — | — | |
| SCHEMBL7514991 | 0.77 | — | — | |
| SCHEMBL1011492 | 0.77 | — | — | |
| SCHEMBL20835235 | 0.73 | — | — | |
| SCHEMBL12591668 | 0.71 | — | — | |
| SCHEMBL19426382 | 0.71 | — | — | |
| SCHEMBL22893335 | 0.71 | — | — | |
| SCHEMBL17636165 | 0.71 | — | — | |
| SCHEMBL7518519 | 0.71 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0637298-B1 | SUBSTITUTED CYCLOHEXENE-1,2-BICARBOXYLIC ACID DERIVATIVES AND RAW MATERIALS FOR PRODUCING THEM | BASF AG (DE) | 1999-03-31 | — | — | EP | disclosed |