⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL556991 | 0.95 | — | — | |
| Hydrogen Sulfide SCHEMBL27379274 | 0.90 | — | — | |
| SCHEMBL27839035 | 0.90 | — | — | |
| SCHEMBL27470678 | 0.90 | — | — | |
| Acetone SCHEMBL9771958 | 0.90 | LMNA (0.60) | — | |
| SCHEMBL28784840 | 0.90 | — | — | |
| SCHEMBL31106422 | 0.90 | — | — | |
| SCHEMBL27718305 | 0.90 | — | — | |
| SCHEMBL7099166 | 0.84 | TSHR (0.60) | — | |
| Acetamide SCHEMBL28551614 | 0.82 | LMNA (0.67) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-4319918-A | α-Substituted N-(trimethylcycloalkenyl)-N-alkylacetamides and their use in phytotoxic preparations | CHEMISCHE WERKE HULS AKTIENGESELLSCHAFT (DE) | 1982-03-16 | — | — | US | disclosed |