⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27441306 | 0.84 | MEN1 (0.33) | — | |
| SCHEMBL24084136 | 0.82 | MEN1 (0.37) | — | |
| SCHEMBL27441537 | 0.82 | MEN1 (0.37) | — | |
| SCHEMBL25869684 | 0.81 | — | — | |
| SCHEMBL27442835 | 0.80 | MEN1 (0.36) | — | |
| SCHEMBL25869645 | 0.79 | ALDH1A1 (0.39) | — | |
| SCHEMBL27441534 | 0.76 | MEN1 (0.36) | — | |
| SCHEMBL25869667 | 0.73 | ALDH1A1 (0.34) | — | |
| SCHEMBL23735969 | 0.72 | MEN1 (0.33) | — | |
| SCHEMBL25869601 | 0.72 | ALDH1A1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11708324-B2 | Sulfuric acid ester or salt thereof, and surfactant | DAIKIN INDUSTRIES. LTD. (JP) | 2023-07-25 | — | — | US | disclosed |