⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2355870 | 0.96 | — | — | |
| SCHEMBL28034229 | 0.92 | — | — | |
| SCHEMBL31547598 | 0.92 | — | — | |
| SCHEMBL11027096 | 0.70 | — | — | |
| SCHEMBL34840 | 0.67 | — | — | |
| SCHEMBL16034530 | 0.67 | — | — | |
| SCHEMBL29033315 | 0.67 | — | — | |
| SCHEMBL10645073 | 0.67 | — | — | |
| Dimethyl Sulfone SCHEMBL11761411 | 0.66 | — | — | |
| SCHEMBL21800167 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6573387-B1 | Synthesis of α,β-substituted amino amides, esters, and acids | THE SCRIPPS RESEARCH INSTITUTE | 2003-06-03 | — | — | US | disclosed |
| WO-1998042657-A9 | SYNTHESIS OF α,β-SUBSTITUTED AMINO AMIDES, ESTERS AND ACIDS | — | 1999-01-28 | — | — | WO | disclosed |
| WO-1998042657-A1 | SYNTHESIS OF α,β-SUBSTITUTED AMINO AMIDES, ESTERS AND ACIDS | THE SCRIPPS RESEARCH INSTITUTE (US) | 1998-10-01 | — | — | WO | disclosed |