⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13204907 | 0.82 | KDM4E (0.35) | — | |
| SCHEMBL22667042 | 0.79 | AKR1C3 (0.30) | — | |
| SCHEMBL24010085 | 0.79 | — | — | |
| SCHEMBL24456479 | 0.75 | — | — | |
| SCHEMBL24456869 | 0.75 | — | — | |
| SCHEMBL23583200 | 0.75 | — | — | |
| SCHEMBL13204896 | 0.74 | ALDH1A1 (0.46) | — | |
| SCHEMBL10107071 | 0.72 | JAK2 (0.31) | — | |
| SCHEMBL131878 | 0.72 | — | — | |
| SCHEMBL17253449 | 0.72 | JAK2 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2021225969-A1 | IMINO SULFANONE INHIBITORS OF ENPP1 | VOLASTRA THERAPEUTICS, INC. (US) | 2021-11-11 | — | — | WO | disclosed |