⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28462459 | 0.83 | — | — | |
| SCHEMBL27553084 | 0.78 | — | — | |
| SCHEMBL27682807 | 0.78 | — | — | |
| SCHEMBL7657168 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL27624140 | 0.77 | — | — | |
| SCHEMBL27553085 | 0.75 | — | — | |
| SCHEMBL7663904 | 0.71 | CES2 (0.36) | — | |
| SCHEMBL7659962 | 0.70 | — | — | |
| SCHEMBL34471497 | 0.70 | — | — | |
| SCHEMBL4116806 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101891677-A | Preparation method of 6-methyl-2-ethyl-3-hydroxy pyridine | UNIV SHAOXING | 2010-11-24 | — | — | CN | claimed |
| US-6362009-B1 | CAPTURING A SUBSTRATE ON SOLID SUPPORT AND ACTIVATINGSUBSTRATE TO REACT WITH REAGENT WITH WHICH UNACTIVATED SUBSTRATE DOES NOT REACT; REACTING ACTIVATED SUBSTRATE ON SOLID PHASE WITH REAGENT TO GIVE AN ADDITION PRODUCT | MERCK & CO., INC. | 2002-03-26 | — | — | US | disclosed |