⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25646153 | 0.73 | — | — | |
| SCHEMBL13187575 | 0.71 | — | — | |
| SCHEMBL16418004 | 0.68 | — | — | |
| SCHEMBL15556301 | 0.67 | — | — | |
| SCHEMBL26669557 | 0.67 | RECQL (0.54) | — | |
| SCHEMBL2640736 | 0.63 | RECQL (0.33) | — | |
| SCHEMBL4593309 | 0.62 | — | — | |
| SCHEMBL31686419 | 0.62 | — | — | |
| SCHEMBL14781075 | 0.62 | — | — | |
| SCHEMBL28096202 | 0.59 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106061963-B | Heterocyclic modulators of lipid synthesis and combinations thereof | 3-V生物科学股份有限公司 | 2019-10-22 | — | — | CN | disclosed |
| CN-106061963-A | Heterocyclic modulators of lipid synthesis and combinations thereof | 3-V生物科学股份有限公司 | 2016-10-26 | — | — | CN | disclosed |
| CN-104507928-B | Heterocyclic modulators of lipid synthesis | 3-V生物科学股份有限公司 | 2016-09-28 | — | — | CN | disclosed |