⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2202136 | 0.77 | CA1 (0.42) | — | |
| SCHEMBL16351268 | 0.75 | — | — | |
| SCHEMBL674071 | 0.75 | — | — | |
| SCHEMBL8677916 | 0.75 | — | — | |
| SCHEMBL10890472 | 0.74 | — | — | |
| SCHEMBL15018926 | 0.73 | — | — | |
| SCHEMBL696973 | 0.72 | — | — | |
| SCHEMBL27565528 | 0.71 | — | — | |
| SCHEMBL9419719 | 0.71 | — | — | |
| SCHEMBL12971205 | 0.70 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1067241-A | The method of terminal olefin oxidation system aldehyde | UNION CARBIDE CHEM PLASTIC (US) | 1992-12-23 | — | — | CN | disclosed |
| EP-0506068-A1 | Oxidation of terminal olefins to aldehydes | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1992-09-30 | — | — | EP | disclosed |