⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17972909 | 0.81 | — | — | |
| SCHEMBL24790330 | 0.75 | — | — | |
| SCHEMBL1035408 | 0.69 | NOS3 (0.36) | — | |
| SCHEMBL18060 | 0.69 | — | — | |
| SCHEMBL4697019 | 0.69 | CES2 (0.39) | — | |
| SCHEMBL18078707 | 0.67 | — | — | |
| SCHEMBL28649535 | 0.67 | CHRNB2 (0.38) | — | |
| Formaldehyde SCHEMBL28550791 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL3055814 | 0.66 | — | — | |
| SCHEMBL1240344 | 0.65 | LMNA (0.43) | — |
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-108689989-B | DPP-4 inhibitor, preparation thereof and application thereof in diabetes | 张爱芳 | 2020-04-03 | — | — | CN | disclosed |
| CN-108675987-B | Quinoline derivative and application thereof in diabetes | 德州学院 | 2020-01-17 | — | — | CN | disclosed |