⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1950456 | 0.81 | — | — | |
| SCHEMBL5606444 | 0.80 | — | — | |
| SCHEMBL1072224 | 0.77 | — | — | |
| SCHEMBL19405658 | 0.77 | — | — | |
| SCHEMBL1145033 | 0.77 | TRPA1 (0.32) | — | |
| SCHEMBL19405700 | 0.77 | — | — | |
| SCHEMBL19405402 | 0.77 | — | — | |
| SCHEMBL8119641 | 0.77 | — | — | |
| SCHEMBL4433093 | 0.77 | — | — | |
| SCHEMBL96104 | 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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0888262-B1 | CYCLOALKYL DERIVATIVES AND THE SOLID-PHASE SYNTHESIS OF SUCH DERIVATIVES | BASF AG (DE) | 2004-06-02 | — | — | EP | disclosed |
| US-6521780-B1 | Cycloalkylmalonic ester derivatives as potential active substances in the drugs and crop protection; combinatorial chemistry | BASF AKTIENGESELLSCHAFT (DE) | 2003-02-18 | — | — | US | disclosed |
| EP-0906324-B1 | CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS | BASF AG (DE) | 2001-08-01 | — | — | EP | disclosed |
| US-6242583-B1 | COUPLING CARBOHYDRATE COMPOUNDS IN PRESENCE OF PROMOTER TO A FUNCTIONALIZED SOLID SUPPORT | BASF AKTIENGESELLSCHAFT (DE) | 2001-06-05 | — | — | US | disclosed |
| EP-0888262-A1 | CYCLOALKYL DERIVATIVES AND THE SOLID-PHASE SYNTHESIS OF SUCH DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1999-01-07 | — | — | EP | disclosed |
| WO-1997034852-A1 | CYCLOALKYL DERIVATIVES AND THE SOLID-PHASE SYNTHESIS OF SUCH DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 1997-09-25 | — | — | WO | disclosed |