⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL173836 | 0.79 | — | — | |
| SCHEMBL11567732 | 0.76 | — | — | |
| SCHEMBL23040816 | 0.72 | — | — | |
| Glycolic Acid SCHEMBL11178602 | 0.72 | OR51E2 (0.30) | — | |
| SCHEMBL11543482 | 0.72 | — | — | |
| SCHEMBL8975760 | 0.72 | — | — | |
| SCHEMBL11599633 | 0.71 | — | — | |
| SCHEMBL2360318 | 0.70 | TRPA1 (0.46) | — | |
| SCHEMBL444402 | 0.68 | — | — | |
| Diallyl Sulfide SCHEMBL27594427 | 0.67 | ALOX5 (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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8440862-B2 | Process for preparing β-amino-α-hydroxycarboxamides | EVONIK DEGUSSA GMBH (DE) | 2013-05-14 | — | — | US | disclosed |
| US-20100010242-A1 | Process for Preparing beta-Amino-alpha-Hydroxycarboxamides | DEGUSSA GMBH (DE) | 2010-01-14 | — | — | US | disclosed |
| US-7612237-B2 | By reaction between epoxycarboxamides and ammonia or amines and enantioselectively crystallizing the salts of racemic diastereomerically enriched compounds using a chiral organic acid | DEGUSSA GMBH (DE) | 2009-11-03 | — | — | US | disclosed |
| US-20080015368-A1 | Process for preparing beta-amino-alpha-hydroxycarboxamides | DEGUSSA GMBH (DE) | 2008-01-17 | — | — | US | disclosed |