⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL188184 | 0.93 | — | — | |
| SCHEMBL1446405 | 0.79 | L3MBTL1 (0.47) | — | |
| SCHEMBL3834112 | 0.78 | KMT2A (0.60) | — | |
| SCHEMBL12139554 | 0.76 | — | — | |
| SCHEMBL179071 | 0.76 | — | — | |
| SCHEMBL4341665 | 0.76 | — | — | |
| SCHEMBL13654900 | 0.76 | — | — | |
| SCHEMBL771604 | 0.76 | — | — | |
| SCHEMBL1856822 | 0.76 | — | — | |
| SCHEMBL9821079 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2582692-B1 | CYCLOHEXYL-AZETIDINYL ANTAGONISTS OF CCR2 | JANSSEN PHARMACEUTICA NV (BE) | 2015-07-22 | — | — | EP | disclosed |
| EP-1730142-B1 | NOVEL KETOAMIDES WITH CYCLIC P4'S AS INHIBITORS OF NS3 SERINE PROTEASE OF HEPATITIS C VIRUS | SCHERING CORP (US) | 2011-06-29 | — | — | EP | disclosed |
| WO-2007138615-A2 | NOVEL PROCESSES FOR PREPARING SERTRALINE HYDROCHLORIDE CRYSTALLINE FORMS | HETERO DRUGS LIMITED (IN) | 2007-12-06 | — | — | WO | disclosed |