⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28271180 | 0.59 | ENPP3 (0.31) | — | |
| SCHEMBL486333 | 0.59 | — | — | |
| SCHEMBL12473381 | 0.58 | — | — | |
| SCHEMBL1231009 | 0.58 | — | — | |
| SCHEMBL8761111 | 0.58 | — | — | |
| SCHEMBL11788115 | 0.57 | — | — | |
| SCHEMBL28077909 | 0.57 | — | — | |
| SCHEMBL323252 | 0.57 | — | — | |
| SCHEMBL27488323 | 0.56 | — | — | |
| SCHEMBL8422482 | 0.56 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104039784-A | Substituted pyrimidine and use thereof | BAYER IP GMBH | 2014-09-10 | — | — | CN | claimed |
| CN-104039784-B | Substituted pyrimidine and use thereof | 拜耳知识产权有限责任公司 | 2017-08-22 | — | — | CN | disclosed |
| CN-105431416-A | 4-alkynyl imidazole derivative and medicine comprising same as active ingredient | KAKEN PHARMA CO LTD | 2016-03-23 | — | — | CN | disclosed |
| CN-104039784-A | Substituted pyrimidine and use thereof | BAYER IP GMBH | 2014-09-10 | — | — | CN | disclosed |
| CN-1045964-C | Heterocyclic compounds and their preparation and use | NOVO NORDISK AS (DK) | 1999-10-27 | — | — | CN | disclosed |
| CN-1145071-A | Heterocyclic compounds, their preparation and use | NOVO NORDISK AS (DK) | 1997-03-12 | — | — | CN | disclosed |