⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19303800 | 0.79 | ESR1 (0.37) | — | |
| SCHEMBL19303802 | 0.74 | ESR1 (0.34) | — | |
| SCHEMBL19303777 | 0.65 | EGFR (0.38) | — | |
| SCHEMBL19303803 | 0.63 | KDM4E (0.38) | — | |
| SCHEMBL10494234 | 0.61 | MAPT (0.41) | — | |
| SCHEMBL19303801 | 0.61 | KDM4E (0.36) | — | |
| SCHEMBL9176608 | 0.60 | MAPT (0.52) | — | |
| SCHEMBL30002739 | 0.60 | MAPT (0.52) | — | |
| SCHEMBL5820540 | 0.59 | PTGS2 (0.39) | — | |
| SCHEMBL5821593 | 0.59 | PTGS2 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3421449-B1 | PRODUCTION METHOD FOR 1,1'-BINAPHTHYL DERIVATIVES | UNIV KYOTO (JP) | 2021-03-31 | — | — | EP | disclosed |