⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9675535 | 0.90 | — | — | |
| SCHEMBL27801025 | 0.83 | — | — | |
| SCHEMBL22556979 | 0.80 | — | — | |
| SCHEMBL6625891 | 0.72 | ALDH1A1 (0.37) | — | |
| SCHEMBL23179003 | 0.70 | SMN1; SMN2 (0.45) | — | |
| SCHEMBL12108431 | 0.70 | SMN1; SMN2 (0.45) | — | |
| SCHEMBL14210445 | 0.68 | ATM (0.36) | — | |
| SCHEMBL16451092 | 0.68 | ATM (0.36) | — | |
| SCHEMBL16451091 | 0.68 | ATM (0.36) | — | |
| Hydrochloric Acid SCHEMBL28524034 | 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 |
|---|---|---|---|---|---|---|---|
| US-9522915-B2 | Method for preparing an important intermediate of linagliptin | 2Y-CHEM, LTD. (CN) | 2016-12-20 | — | — | US | disclosed |
| US-20150274728-A1 | METHOD FOR PREPARING AN IMPORTANT INTERMEDIATE OF LINAGLIPTIN | 2Y-CHEM, LTD. (CN) | 2015-10-01 | — | — | US | disclosed |