⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29501098 | 0.82 | — | — | |
| SCHEMBL111378 | 0.76 | — | — | |
| SCHEMBL9165370 | 0.76 | — | — | |
| SCHEMBL29501088 | 0.75 | — | — | |
| SCHEMBL20211167 | 0.69 | — | — | |
| SCHEMBL9164871 | 0.68 | — | — | |
| SCHEMBL21964079 | 0.67 | ALOX15 (0.30) | — | |
| SCHEMBL21964081 | 0.67 | ALOX15 (0.30) | — | |
| SCHEMBL1044988 | 0.65 | — | — | |
| SCHEMBL15746992 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7884063-B2 | perfume emulsions, for use in dryer; aromatherapy; spray containers, textile cleaning kits | HENKEL AG & CO. KGAA (DE) | 2011-02-08 | — | — | US | disclosed |
| US-20100047198-A1 | Textile Scenting | HENKEL AG & CO., KGAA (DE) | 2010-02-25 | — | — | US | disclosed |