⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9998973 | 0.72 | — | — | |
| SCHEMBL9999351 | 0.65 | — | — | |
| Inositol SCHEMBL3835408 | 0.56 | LMNA (0.56) | — | |
| Inositol SCHEMBL5039565 | 0.53 | ALDH1A1 (0.60) | — | |
| Scyllitol SCHEMBL581992 | 0.53 | ALDH1A1 (0.60) | — | |
| Alcohol SCHEMBL3721594 | 0.52 | — | — | |
| Propane SCHEMBL28016916 | 0.50 | — | — | |
| Methyl Alcohol SCHEMBL1988712 | 0.49 | — | — | |
| SCHEMBL2983549 | 0.49 | — | — | |
| Alcohol SCHEMBL2021650 | 0.49 | — | — |
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 | claimed |
| CN-1195369-A | Concentrated and stable fabric softening compositions | PROCTER & GAMBLE (US) | 1998-10-07 | — | — | CN | claimed |
| CN-1195369-A | Concentrated and stable fabric softening compositions | PROCTER & GAMBLE (US) | 1998-10-07 | — | — | CN | disclosed |