⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6048216 | 0.84 | — | — | |
| SCHEMBL30094372 | 0.79 | — | — | |
| SCHEMBL29130628 | 0.79 | — | — | |
| SCHEMBL3002852 | 0.78 | — | — | |
| SCHEMBL10456852 | 0.78 | — | — | |
| SCHEMBL3002855 | 0.78 | — | — | |
| SCHEMBL11715310 | 0.78 | — | — | |
| SCHEMBL6155839 | 0.75 | — | — | |
| SCHEMBL19433847 | 0.74 | — | — | |
| SCHEMBL7855799 | 0.73 | MAPK1 (0.33) | — |
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-20160369204-A1 | METHOD OF MAKING PERFUMED GOODS | THE PROCTER & GAMBLE COMPANY | 2016-12-22 | — | — | US | disclosed |