⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30889153 | 0.75 | — | — | |
| SCHEMBL9390766 | 0.68 | HDAC3 (0.33) | — | |
| SCHEMBL11547514 | 0.68 | HCAR2 (0.35) | — | |
| SCHEMBL10986583 | 0.67 | — | — | |
| SCHEMBL6669183 | 0.67 | GSTP1 (0.36) | — | |
| SCHEMBL8760986 | 0.66 | GSTP1 (0.35) | — | |
| SCHEMBL23630598 | 0.65 | — | — | |
| SCHEMBL4585601 | 0.63 | — | — | |
| SCHEMBL11794825 | 0.63 | — | — | |
| SCHEMBL4719612 | 0.63 | LMNA (0.36) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-104447373-A | Method for synthesizing dihydrophenlglycine | UNIV HEILONGJIANG | 2015-03-25 | — | — | CN | disclosed |