⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8858340 | 1.00 | — | — | |
| SCHEMBL8858333 | 1.00 | — | — | |
| SCHEMBL19649528 | 0.74 | CRBN (0.32) | — | |
| SCHEMBL13966491 | 0.74 | CRBN (0.32) | — | |
| SCHEMBL19649539 | 0.74 | CRBN (0.32) | — | |
| SCHEMBL7945889 | 0.72 | PTPN1 (0.32) | — | |
| SCHEMBL5710122 | 0.71 | TSHR (0.34) | — | |
| SCHEMBL6869846 | 0.69 | — | — | |
| SCHEMBL7750341 | 0.68 | — | — | |
| SCHEMBL11056762 | 0.67 | ESR1 (0.31) | — |
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-0792864-A1 | 4-Formyl-3,3,5-trimethyl-cyclohexanone and process for the production thereof | BASF AKTIENGESELLSCHAFT (DE) | 1997-09-03 | — | — | EP | disclosed |