⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22385031 | 1.00 | — | — | |
| SCHEMBL5698423 | 0.80 | — | — | |
| SCHEMBL26028397 | 0.78 | TSHR (0.46) | — | |
| SCHEMBL4495282 | 0.74 | — | — | |
| SCHEMBL5698421 | 0.73 | — | — | |
| SCHEMBL18324064 | 0.72 | — | — | |
| SCHEMBL22413533 | 0.72 | — | — | |
| SCHEMBL735869 | 0.72 | — | — | |
| SCHEMBL13767991 | 0.72 | — | — | |
| SCHEMBL19256532 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3156391-A1 | METHOD FOR PREPARING SITAGLIPTIN INTERMEDIATE VIA ASYMMETRICAL REDUCTION METHOD | Zhejiang Huahai Pharmaceutical Co., Ltd (CN) | 2017-04-19 | — | — | EP | disclosed |