⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9340246 | 0.79 | — | — | |
| SCHEMBL9308889 | 0.79 | — | — | |
| SCHEMBL10532626 | 0.75 | — | — | |
| SCHEMBL9308718 | 0.72 | PRKCA (0.32) | — | |
| SCHEMBL906968 | 0.69 | — | — | |
| SCHEMBL2409745 | 0.68 | — | — | |
| SCHEMBL28565015 | 0.67 | — | — | |
| SCHEMBL29006314 | 0.67 | — | — | |
| SCHEMBL9785119 | 0.67 | LMNA (0.33) | — | |
| SCHEMBL1665267 | 0.66 | CYP2C19 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0468626-B1 | Cotton bales and method of producing same | TAKEMOTO OIL & FAT CO LTD (JP) | 1994-06-01 | — | — | EP | disclosed |
| EP-0468626-A2 | Cotton bales and method of producing same | Takemoto Yushi Kabushiki Kaisha (JP) | 1992-01-29 | — | — | EP | disclosed |