⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7456411 | 0.82 | — | — | |
| SCHEMBL8431988 | 0.70 | — | — | |
| SCHEMBL1289826 | 0.70 | — | — | |
| SCHEMBL8431992 | 0.70 | — | — | |
| SCHEMBL14432708 | 0.70 | — | — | |
| SCHEMBL23707362 | 0.70 | — | — | |
| SCHEMBL656575 | 0.70 | — | — | |
| SCHEMBL10533846 | 0.67 | — | — | |
| SCHEMBL209653 | 0.67 | — | — | |
| SCHEMBL4536370 | 0.67 | — | — |
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-6927202-B2 | Fabric conditioning compositions | UNILEVER HOME & PERSONAL CARE, USA DIVISION OF CONOPCO, INC. (US) | 2005-08-09 | — | — | US | disclosed |
| US-20040058848-A1 | Fabric conditioning compositions | UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. | 2004-03-25 | — | — | US | disclosed |