⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18335231 | 0.80 | — | — | |
| SCHEMBL8725952 | 0.80 | — | — | |
| SCHEMBL14721166 | 0.76 | — | — | |
| SCHEMBL14721109 | 0.73 | — | — | |
| SCHEMBL25382150 | 0.71 | — | — | |
| SCHEMBL8363435 | 0.65 | — | — | |
| SCHEMBL11231547 | 0.64 | — | — | |
| SCHEMBL14721426 | 0.63 | HPGD (0.37) | — | |
| SCHEMBL9324309 | 0.62 | — | — | |
| SCHEMBL11043238 | 0.62 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013028132-A9 | CHIRAL PHOSPHINES FOR PALLADIUM-CATALYZED ASYMMETRIC ALPHA-ARYLATION OF ESTER ENOLATES TO PRODUCE TERTIARY STEREOCENTERS IN HIGH ENANTIOSELECTIVITY | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2013-08-22 | — | — | WO | disclosed |
| WO-2013028132-A1 | CHIRAL PHOSPHINES FOR PALLADIUM-CATALYZED ASYMMETRIC ALPHA-ARYLATION OF ESTER ENOLATES TO PRODUCE TERTIARY STEREOCENTERS IN HIGH ENANTIOSELECTIVITY | NANYANG TECHNOLOGICAL UNIVERSITY (SG) | 2013-02-28 | — | — | WO | disclosed |