⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12859153 | 0.86 | ALDH1A1 (0.31) | — | |
| SCHEMBL12859209 | 0.86 | ALDH1A1 (0.31) | — | |
| SCHEMBL12858692 | 0.78 | MAPK1 (0.37) | — | |
| SCHEMBL14134770 | 0.78 | MAPK1 (0.37) | — | |
| SCHEMBL12858606 | 0.78 | MAPK1 (0.37) | — | |
| SCHEMBL17927975 | 0.76 | TDP1 (0.34) | — | |
| SCHEMBL12858991 | 0.75 | MAPK1 (0.33) | — | |
| SCHEMBL13538326 | 0.75 | MAPK1 (0.33) | — | |
| SCHEMBL12858992 | 0.75 | MAPK1 (0.33) | — | |
| SCHEMBL13391048 | 0.72 | TSHR (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 |
|---|---|---|---|---|---|---|---|
| WO-2020230618-A1 | WATER REPELLENT AND OIL REPELLENT MEMBER, AND METHOD FOR PRODUCING WATER REPELLENT AND OIL REPELLENT MEMBER | 信越化学工業株式会社 | 2020-11-19 | — | — | WO | disclosed |