⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12449218 | 1.00 | — | — | |
| SCHEMBL10427350 | 1.00 | — | — | |
| SCHEMBL10427351 | 1.00 | — | — | |
| SCHEMBL51211 | 1.00 | — | — | |
| SCHEMBL5055917 | 1.00 | — | — | |
| SCHEMBL5055911 | 1.00 | — | — | |
| Methyl Alcohol SCHEMBL27790667 | 0.95 | GLA (0.35) | — | |
| Alcohol SCHEMBL27811862 | 0.92 | GLA (0.38) | — | |
| SCHEMBL5573446 | 0.92 | — | — | |
| SCHEMBL163320 | 0.92 | — | — |
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-8680294-B2 | Enantio- and stereo specific synthesis of β-amino-α-hydroxy amides | MERCK SHARP & DOHME CORP. (US) | 2014-03-25 | — | — | US | disclosed |
| US-20120178942-A1 | ENANTIO- AND STEREO-SPECIFIC SYNTHESES OF BETA-AMINO-ALPHA- HYDROXY AMIDES | MERCK SHARP & DOHME LLC | 2012-07-12 | — | — | US | disclosed |