⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7640768 | 0.83 | — | — | |
| Methane SCHEMBL11210740 | 0.80 | GAA (0.35) | — | |
| SCHEMBL16083935 | 0.79 | — | — | |
| SCHEMBL28180624 | 0.79 | — | — | |
| SCHEMBL13829369 | 0.79 | — | — | |
| SCHEMBL28041101 | 0.77 | TDP1 (0.35) | — | |
| SCHEMBL13896469 | 0.76 | — | — | |
| SCHEMBL15494536 | 0.75 | DGAT1 (0.38) | — | |
| SCHEMBL14727815 | 0.74 | CYP2D6 (0.35) | — | |
| SCHEMBL16391472 | 0.74 | — | — |
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-9890167-B2 | Pyrazine compounds for the treatment of infectious diseases | HOFFMANN-LA ROCHE INC. (US) | 2018-02-13 | — | — | US | disclosed |
| CN-101654415-B | Method for selective catalyzed preparation of hydroxyl acetamide by diphosphonic acid | JIANGSU INST NUCLEAR MEDICINE | 2012-08-08 | — | — | CN | disclosed |
| CN-101654415-A | Method for selective catalyzed preparation of hydroxyl acetamide by diphosphonic acid | JIANGSU INST OF NUCLEAR MED | 2010-02-24 | — | — | CN | disclosed |