⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8723794 | 0.73 | — | — | |
| SCHEMBL11465675 | 0.71 | — | — | |
| SCHEMBL1366069 | 0.69 | — | — | |
| SCHEMBL517270 | 0.69 | — | — | |
| SCHEMBL1940538 | 0.69 | — | — | |
| SCHEMBL7077910 | 0.69 | LDHA (0.47) | — | |
| SCHEMBL8585811 | 0.69 | — | — | |
| SCHEMBL7924627 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL7945547 | 0.67 | LDHA (0.44) | — | |
| SCHEMBL165376 | 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-105646492-B | Substituted xanthine class compound and its preparation method and application containing five yuan of heteroaromatics | 中国医学科学院药物研究所 | 2019-04-09 | — | — | CN | disclosed |
| CN-105085359-A | Nitrogen-containing heterocyclic substituted pyrrolidine formyl thiomorpholin DPP-IV inhibitor | INST MATERIA MEDICA CAMS | 2015-11-25 | — | — | CN | disclosed |