⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8048842 | 0.82 | TSHR (0.35) | — | |
| SCHEMBL483930 | 0.82 | TSHR (0.38) | — | |
| SCHEMBL771204 | 0.78 | TSHR (0.35) | — | |
| Di(Hydroxyethyl)Ether SCHEMBL28287703 | 0.73 | TSHR (0.40) | — | |
| SCHEMBL8557257 | 0.73 | — | — | |
| SCHEMBL15467886 | 0.72 | TRPA1 (0.34) | — | |
| Octane SCHEMBL10559727 | 0.71 | LMNA (0.40) | — | |
| SCHEMBL147380 | 0.69 | ALDH1A1 (0.37) | — | |
| SCHEMBL3189647 | 0.67 | TSHR (0.41) | — | |
| SCHEMBL8368987 | 0.67 | — | — |
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-1195369-A | Concentrated and stable fabric softening compositions | PROCTER & GAMBLE (US) | 1998-10-07 | — | — | CN | claimed |
| EP-0918842-A1 | SUBSTANTIALLY ODOR-FREE POLYHYDROXYL SOLVENTS | THE PROCTER & GAMBLE COMPANY (US) | 1999-06-02 | — | — | EP | disclosed |
| WO-1998002513-A1 | SUBSTANTIALLY ODOR-FREE POLYHYDROXYL SOLVENTS | THE PROCTER & GAMBLE COMPANY (US) | 1998-01-22 | — | — | WO | disclosed |