⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5646728 | 0.84 | AHR (0.43) | — | |
| SCHEMBL6207069 | 0.83 | CYP2A6 (0.43) | — | |
| SCHEMBL27475804 | 0.81 | CYP2A6 (0.41) | — | |
| SCHEMBL5967116 | 0.75 | AHR (0.59) | — | |
| SCHEMBL10429101 | 0.74 | AHR (0.31) | — | |
| SCHEMBL6326833 | 0.74 | RXRA (0.32) | — | |
| SCHEMBL7799756 | 0.72 | NOTUM (0.38) | — | |
| SCHEMBL4284685 | 0.71 | HPGDS (0.39) | — | |
| SCHEMBL4281937 | 0.70 | HSD17B1 (0.48) | — | |
| SCHEMBL7458985 | 0.70 | CYP2A6 (0.48) | — |
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-2285583-A1 | METHOD OF AFFIXING A DESIGN TO A SURFACE | S.C. Johnson & Son, Inc. (US) | 2011-02-23 | — | — | EP | disclosed |