⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1145884 | 0.78 | — | — | |
| SCHEMBL10628093 | 0.78 | — | — | |
| SCHEMBL826097 | 0.71 | — | — | |
| SCHEMBL10623643 | 0.71 | — | — | |
| SCHEMBL11799691 | 0.69 | — | — | |
| SCHEMBL11797273 | 0.66 | — | — | |
| SCHEMBL11799716 | 0.64 | — | — | |
| SCHEMBL12976501 | 0.63 | — | — | |
| SCHEMBL229974 | 0.63 | TYR (0.32) | — | |
| SCHEMBL1145234 | 0.60 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3952114-A | 1,4-Cyclohexadiene-1-carboxaldehyde syn-oxime synthetic sweetening agents | STANFORD RESEARCH INSTITUTE (US) | 1976-04-20 | — | — | US | claimed |
| US-3952114-A | 1,4-Cyclohexadiene-1-carboxaldehyde syn-oxime synthetic sweetening agents | STANFORD RESEARCH INSTITUTE (US) | 1976-04-20 | — | — | US | disclosed |
| US-3952114-A | 1,4-Cyclohexadiene-1-carboxaldehyde syn-oxime synthetic sweetening agents | STANFORD RESEARCH INSTITUTE (US) | 1976-04-20 | — | — | US | disclosed |
| US-3919318-A | 1,4-Cyclohexadiene-1-carboxaldehyde syn-oxime synthetic sweetening agents | STANFORD RESEARCH INST | 1975-11-11 | — | — | US | disclosed |