⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14280005 | 1.00 | — | — | |
| SCHEMBL3382992 | 1.00 | — | — | |
| SCHEMBL10489208 | 0.80 | — | — | |
| SCHEMBL10489207 | 0.80 | — | — | |
| SCHEMBL6055358 | 0.80 | — | — | |
| SCHEMBL6055357 | 0.80 | — | — | |
| SCHEMBL10358575 | 0.77 | — | — | |
| SCHEMBL10358574 | 0.77 | — | — | |
| SCHEMBL641523 | 0.76 | — | — | |
| SCHEMBL15781987 | 0.75 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9512155-B2 | Chiral phosphines for palladium-catalyzed asymmetric α-arylation of ester enolates to produce tertiary stereocenters in high enantioselectivity | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2016-12-06 | — | — | US | disclosed |
| US-20150166586-A1 | CHIRAL PHOSPHINES FOR PALLADIUM-CATALYZED ASYMMETRIC ALPHA-ARYLATION OF ESTER ENOLATES TO PRODUCE TERTIARY STEREOCENTERS IN HIGH ENANTIOSELECTIVITY | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2015-06-18 | — | — | US | disclosed |
| EP-1280764-B1 | INHIBITORS OF HISTONE DEACETYLASE | METHYLGENE INC (CA) | 2010-11-24 | — | — | EP | disclosed |
| WO-2008068348-A1 | CONTROLLED POLYMERIZATION OF MONOMERS BEARING AN ALPHA,BETA-UNSATURATED GROUP IN THE PRESENCE OF A CARBENE | RHODIA OPERATIONS (FR) | 2008-06-12 | — | — | WO | disclosed |