⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2098335 | 0.72 | — | — | |
| SCHEMBL21228029 | 0.69 | PDE2A (0.35) | — | |
| SCHEMBL20600819 | 0.69 | NQO2 (0.42) | — | |
| SCHEMBL6231699 | 0.69 | MAPT (0.44) | — | |
| SCHEMBL30798871 | 0.69 | GLRA3 (0.36) | — | |
| SCHEMBL5000470 | 0.67 | POLB (0.37) | — | |
| SCHEMBL24345433 | 0.67 | KMT2A (0.40) | — | |
| SCHEMBL17083731 | 0.67 | PDGFRB (0.33) | — | |
| SCHEMBL20600827 | 0.66 | KDR (0.32) | — | |
| SCHEMBL2665134 | 0.66 | ALDH1A1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7345180-B2 | Compound inhibiting dipeptidyl peptidase IV | SANWA KAGAKU KENKYUSHO CO., LTD. (JP) | 2008-03-18 | — | — | US | disclosed |
| US-20060229286-A1 | Compound inhibiting dipeptidyl peptidase IV | SANWA KAGAKU KENKYUSHO CO., LTD. (JP) | 2006-10-12 | — | — | US | disclosed |
| EP-1595866-A1 | COMPOUND INHIBITING DIPEPTIDYL PEPTIDASE IV | Sanwa Kagaku Kenkyusho Co., Ltd. (JP) | 2005-11-16 | — | — | EP | disclosed |