⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26548459 | 0.77 | TSHR (0.31) | — | |
| SCHEMBL24436961 | 0.76 | — | — | |
| SCHEMBL9908445 | 0.75 | — | — | |
| SCHEMBL24445900 | 0.75 | — | — | |
| SCHEMBL13477379 | 0.74 | — | — | |
| SCHEMBL28938289 | 0.74 | — | — | |
| SCHEMBL14204588 | 0.73 | — | — | |
| SCHEMBL86010 | 0.72 | ALDH1A1 (0.31) | — | |
| SCHEMBL14230470 | 0.71 | — | — | |
| SCHEMBL13346975 | 0.71 | — | — |
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-20230332008-A1 | PHENOL COMPOUND, CONDUCTIVE PASTE COMPOSITION, METHOD FOR PRODUCING CONDUCTIVE PASTE COMPOSITION, CONDUCTIVE WIRE, AND METHOD FOR PRODUCING CONDUCTIVE WIRE | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2023-10-19 | — | — | US | disclosed |