⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2633798 | 1.00 | — | — | |
| SCHEMBL27807086 | 0.81 | ALDH1A1 (0.48) | — | |
| Iodide SCHEMBL30097600 | 0.79 | ALDH1A1 (0.36) | — | |
| SCHEMBL2110683 | 0.79 | TSHR (0.35) | — | |
| SCHEMBL2566927 | 0.79 | ALDH1A1 (0.35) | — | |
| Dimethylamine SCHEMBL447383 | 0.78 | KDM4E (0.32) | — | |
| SCHEMBL18653991 | 0.78 | LMNA (0.52) | — | |
| SCHEMBL27922571 | 0.78 | SLC1A2 (0.44) | — | |
| Dimethylamine SCHEMBL4565839 | 0.78 | MGAM (0.30) | — | |
| SCHEMBL3286044 | 0.77 | — | — |
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-104039766-A | Pharmaceutical compounds | ASTEX THERAPEUTICS LTD | 2014-09-10 | — | — | CN | disclosed |