⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5907120 | 0.90 | ANPEP (0.30) | — | |
| SCHEMBL8532417 | 0.81 | LNPEP (0.31) | — | |
| SCHEMBL108477 | 0.79 | — | — | |
| SCHEMBL11890314 | 0.79 | — | — | |
| SCHEMBL11890302 | 0.79 | — | — | |
| SCHEMBL12501946 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL12501944 | 0.76 | TSHR (0.32) | — | |
| SCHEMBL3257787 | 0.75 | TSHR (0.36) | — | |
| SCHEMBL17629679 | 0.74 | PPARG (0.33) | — | |
| SCHEMBL17629680 | 0.74 | PPARG (0.33) | — |
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 3 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 | 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 |