⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1023227 | 0.75 | — | — | |
| SCHEMBL5872623 | 0.74 | ALDH1A1 (0.41) | — | |
| SCHEMBL11781985 | 0.69 | — | — | |
| SCHEMBL8516870 | 0.67 | — | — | |
| SCHEMBL2019419 | 0.67 | ALDH1A1 (0.59) | — | |
| SCHEMBL3114618 | 0.67 | — | — | |
| SCHEMBL11897516 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL16969628 | 0.65 | — | — | |
| SCHEMBL4473349 | 0.65 | — | — | |
| SCHEMBL15369738 | 0.65 | MEN1 (0.38) | — |
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 6 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 |
| EP-0842250-A1 | CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION | THE PROCTER & GAMBLE COMPANY (US) | 1998-05-20 | — | — | EP | disclosed |
| US-5747443-A | BIODEGRADABLE QUATERNARY AMMONIUM COMPOUNDS | THE PROCTER & GAMBLE COMPANY (US) | 1998-05-05 | — | — | US | disclosed |
| WO-1997003169-A1 | CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION | THE PROCTER & GAMBLE COMPANY (US) | 1997-01-30 | — | — | WO | disclosed |