⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL44678 | 1.00 | — | — | |
| Isobutyraldehyde SCHEMBL17766468 | 0.73 | — | — | |
| SCHEMBL21708257 | 0.72 | — | — | |
| SCHEMBL6556809 | 0.70 | — | — | |
| Isobutyraldehyde SCHEMBL788159 | 0.70 | ADH1B (0.38) | — | |
| Isobutyraldehyde SCHEMBL2996 | 0.70 | — | — | |
| Isobutyraldehyde SCHEMBL2635854 | 0.70 | ADH1B (0.38) | — | |
| Isobutyraldehyde SCHEMBL18287436 | 0.70 | — | — | |
| SCHEMBL21708275 | 0.68 | — | — | |
| Ethylene SCHEMBL11406562 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101151265-B | Dipeptidyl peptidase-iv inhibiting compounds, methods of preparing the same, and pharmaceutical compositions containing the same as an active agent | LG LIFE SCIENCES LTD | 2012-11-28 | — | — | CN | disclosed |
| CN-101151265-A | Dipeptidyl peptidase-iv inhibiting compounds, methods of preparing the same, and pharmaceutical compositions containing the same as an active agent | LG LIFE SCIENCES LTD (KR) | 2008-03-26 | — | — | CN | disclosed |