⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27441301 | 0.84 | MAPT (0.35) | — | |
| SCHEMBL25869684 | 0.83 | — | — | |
| SCHEMBL23437973 | 0.80 | MEN1 (0.36) | — | |
| SCHEMBL25869663 | 0.80 | NFKB1 (0.31) | — | |
| SCHEMBL22110990 | 0.79 | MAPT (0.38) | — | |
| SCHEMBL24044707 | 0.78 | MEN1 (0.34) | — | |
| SCHEMBL25869642 | 0.77 | TDP1 (0.30) | — | |
| SCHEMBL27441525 | 0.75 | KDM4E (0.38) | — | |
| SCHEMBL25869657 | 0.74 | MAPT (0.36) | — | |
| SCHEMBL25869634 | 0.73 | TDP1 (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 |
|---|---|---|---|---|---|---|---|
| US-11708324-B2 | Sulfuric acid ester or salt thereof, and surfactant | DAIKIN INDUSTRIES. LTD. (JP) | 2023-07-25 | — | — | US | disclosed |