⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19246131 | 0.89 | USP2 (0.31) | — | |
| SCHEMBL19207380 | 0.87 | ALDH1A1 (0.33) | — | |
| SCHEMBL24535425 | 0.79 | KDM4E (0.30) | — | |
| SCHEMBL19246044 | 0.72 | — | — | |
| SCHEMBL24535429 | 0.70 | MEN1 (0.33) | — | |
| SCHEMBL24535433 | 0.68 | ELANE (0.31) | — | |
| SCHEMBL24535418 | 0.67 | NPSR1 (0.33) | — | |
| SCHEMBL24535301 | 0.67 | HDAC4 (0.34) | — | |
| SCHEMBL19248294 | 0.65 | ALDH1A1 (0.30) | — | |
| SCHEMBL24535428 | 0.64 | — | — |
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-2022132048-A1 | PHOSPHORUS COMPOUNDS AND METHODS THEREOF | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2022-06-23 | — | — | WO | disclosed |