⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12319618 | 0.88 | — | — | |
| SCHEMBL2394452 | 0.88 | — | — | |
| SCHEMBL4881462 | 0.87 | ALDH1A1 (0.50) | — | |
| SCHEMBL1833313 | 0.85 | — | — | |
| SCHEMBL8092519 | 0.85 | TDP1 (0.56) | — | |
| SCHEMBL6387999 | 0.85 | — | — | |
| SCHEMBL8052207 | 0.84 | TSHR (0.43) | — | |
| Butanol SCHEMBL28477506 | 0.82 | TSHR (0.62) | — | |
| SCHEMBL246160 | 0.82 | ALDH1A1 (0.52) | — | |
| SCHEMBL4890375 | 0.80 | ALDH1A1 (0.43) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1219953-A | Fabric softening compound/composition | PROCTER & GAMBLE (US) | 1999-06-16 | — | — | CN | claimed |
| CN-1195369-A | Concentrated and stable fabric softening compositions | PROCTER & GAMBLE (US) | 1998-10-07 | — | — | CN | claimed |
| CN-1110541-C | Concentrated water-dispersible stable fiber softener compositions | PROCTER & GAMBLE (US) | 2003-06-04 | — | — | CN | disclosed |
| CN-1098350-C | Fabric softening compound/composition | PROCTER & GAMBLE (US) | 2003-01-08 | — | — | CN | disclosed |
| CN-1244212-A | Improved expression vectors | PROCTER & GAMBLE (US) | 2000-02-09 | — | — | CN | disclosed |
| CN-1219953-A | Fabric softening compound/composition | PROCTER & GAMBLE (US) | 1999-06-16 | — | — | CN | disclosed |
| CN-1196081-A | Concentrated, water dispersible, stable, fabric softening compositions | PROCTER & GAMBLE (US) | 1998-10-14 | — | — | CN | disclosed |
| CN-1195369-A | Concentrated and stable fabric softening compositions | PROCTER & GAMBLE (US) | 1998-10-07 | — | — | CN | disclosed |