⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21315004 | 0.88 | — | — | |
| SCHEMBL4754505 | 0.77 | GABRA5 (0.41) | — | |
| SCHEMBL11094656 | 0.74 | — | — | |
| SCHEMBL3602770 | 0.74 | — | — | |
| SCHEMBL31356724 | 0.74 | PTPN2 (0.35) | — | |
| SCHEMBL6043694 | 0.72 | NPC1 (0.40) | — | |
| SCHEMBL2836151 | 0.72 | — | — | |
| SCHEMBL754743 | 0.72 | NPC1 (0.40) | — | |
| SCHEMBL6950229 | 0.72 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL809692 | 0.72 | CES2 (0.35) | — |
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-105308036-B | The Compounds and methods for and its indication adjusted for kinases | 普莱希科公司 | 2019-06-21 | — | — | CN | disclosed |
| CN-207317430-U | A kind of drying baker for being used to prepare 3- acetyl cyclopenta methyl formates | 福建仁宏医药化工有限公司 | 2018-05-04 | — | — | CN | disclosed |
| CN-207221374-U | A kind of rectifying column for producing 3 acetyl cyclopenta methyl formates | 福建仁宏医药化工有限公司 | 2018-04-13 | — | — | CN | disclosed |
| CN-207221374-U | A kind of rectifying column for producing 3 acetyl cyclopenta methyl formates | 福建仁宏医药化工有限公司 | 2018-04-13 | — | — | CN | disclosed |
| CN-105073747-B | Heterocyclic compounds and their use | 普莱希科公司 | 2017-06-06 | — | — | CN | disclosed |
| CN-104981247-A | Compounds and methods for kinase modulation, and indications therefor | PLEXXIKON INC | 2015-10-14 | — | — | CN | disclosed |