⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24294266 | 0.73 | GABRP (0.32) | — | |
| SCHEMBL24294022 | 0.69 | — | — | |
| SCHEMBL24294215 | 0.69 | APLNR (0.32) | — | |
| SCHEMBL24294084 | 0.68 | CCR2 (0.36) | — | |
| SCHEMBL26805245 | 0.67 | ABAT (0.36) | — | |
| SCHEMBL26803758 | 0.65 | LMNA (0.35) | — | |
| SCHEMBL24294001 | 0.61 | ABAT (0.34) | — | |
| SCHEMBL24293988 | 0.61 | ABAT (0.32) | — | |
| SCHEMBL26805791 | 0.60 | ABAT (0.33) | — | |
| SCHEMBL1660695 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022061271-A1 | ISOMERIZATION OF CYCLOHEXENEDICARBOXYLIC ACID AND ITS DERIVATIVES | IOWA STATE UNIVERSITY RESEARCHFOUNDATION, INC. (US) | 2022-03-24 | — | — | WO | disclosed |