⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3363671 | 0.78 | GABRR1 (0.30) | — | |
| SCHEMBL11050749 | 0.76 | — | — | |
| SCHEMBL17726088 | 0.76 | — | — | |
| SCHEMBL16575221 | 0.73 | — | — | |
| SCHEMBL8061453 | 0.72 | — | — | |
| SCHEMBL8531998 | 0.66 | HSD17B10 (0.32) | — | |
| SCHEMBL12898949 | 0.64 | — | — | |
| SCHEMBL13555483 | 0.64 | — | — | |
| SCHEMBL12657749 | 0.64 | — | — | |
| SCHEMBL13935642 | 0.64 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1272133-A | Concentrated, stable, preferably clear, fabric softening compositions containing amine fabric softeners | PROCTER & GAMBLE (US) | 2000-11-01 | — | — | CN | disclosed |
| CN-1219953-A | Fabric softening compound/composition | PROCTER & GAMBLE (US) | 1999-06-16 | — | — | CN | disclosed |
| CN-1196082-A | Concentrated stable fabric softening compositions comprising chelants | PROCTER & GAMBLE (US) | 1998-10-14 | — | — | CN | disclosed |
| US-5747443-A | BIODEGRADABLE QUATERNARY AMMONIUM COMPOUNDS | THE PROCTER & GAMBLE COMPANY (US) | 1998-05-05 | — | — | US | disclosed |