⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11433506 | 0.77 | ALDH1A1 (0.50) | — | |
| Acrylamide SCHEMBL27858751 | 0.76 | ALDH1A1 (0.58) | — | |
| SCHEMBL8762992 | 0.74 | — | — | |
| SCHEMBL10492901 | 0.74 | — | — | |
| SCHEMBL25784788 | 0.74 | — | — | |
| SCHEMBL7203147 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL2439285 | 0.72 | — | — | |
| SCHEMBL18214206 | 0.72 | TDP1 (0.43) | — | |
| SCHEMBL4141273 | 0.71 | LMNA (0.58) | — | |
| SCHEMBL4779556 | 0.71 | LMNA (0.58) | — |
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-108017578-A | A kind of chloro- N of 2-, the preparation method of N- dimethyl nicotinamides | 江苏丰山集团股份有限公司 | 2018-05-11 | — | — | CN | disclosed |