⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1610132 | 0.81 | L3MBTL1 (0.43) | — | |
| SCHEMBL3872212 | 0.81 | L3MBTL1 (0.43) | — | |
| SCHEMBL1609861 | 0.81 | L3MBTL1 (0.43) | — | |
| SCHEMBL2247539 | 0.81 | L3MBTL1 (0.43) | — | |
| SCHEMBL18401160 | 0.74 | L3MBTL1 (0.34) | — | |
| SCHEMBL2245759 | 0.72 | L3MBTL1 (0.32) | — | |
| SCHEMBL14068110 | 0.72 | L3MBTL1 (0.32) | — | |
| SCHEMBL1610462 | 0.72 | L3MBTL1 (0.32) | — | |
| SCHEMBL1609717 | 0.72 | L3MBTL1 (0.32) | — | |
| SCHEMBL3873093 | 0.70 | CA2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110263628-A1 | N-HYDROXYAMIDE DERIVATIVES AND USE THEREOF | APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) | 2011-10-27 | — | — | US | disclosed |
| US-8008302-B2 | ((2S,3S) N,2-dihydroxy-5-methyl-3-{[4-(2-pyridinyl)-1-piperazinyl]carbonyl}hexanamide; for treatment and/or prevention of disorders related to autoimmune disorders and/or inflammatory diseases, cardiovascular diseases, neurodegenerative diseases, stroke, cancer, pre-term labor, endometriosis | MERCK SERONO SA (CH) | 2011-08-30 | — | — | US | disclosed |