⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23568855 | 0.80 | TXNRD1 (0.32) | — | |
| SCHEMBL23569310 | 0.79 | — | — | |
| SCHEMBL23569832 | 0.71 | — | — | |
| SCHEMBL23569178 | 0.71 | — | — | |
| SCHEMBL25033917 | 0.70 | ABCC9 (0.30) | — | |
| SCHEMBL23531760 | 0.69 | CA2 (0.34) | — | |
| SCHEMBL23569874 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL23531748 | 0.68 | TRPV4 (0.30) | — | |
| SCHEMBL21893043 | 0.68 | — | — | |
| SCHEMBL23569880 | 0.67 | ACLY (0.30) | — |
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-2021123237-A1 | 2-AMINO-N-(AMINO-OXO-ARYL-LAMBDA6-SULFANYLIDENE)ACETAMIDE COMPOUNDS AND THEIR THERAPEUTIC USE | Oxford Drug Design Limited (GB) | 2021-06-24 | — | — | WO | disclosed |