⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28170259 | 0.77 | TRPA1 (0.39) | — | |
| SCHEMBL8557260 | 0.69 | — | — | |
| SCHEMBL3799604 | 0.67 | MAPT (0.33) | — | |
| SCHEMBL8551302 | 0.64 | — | — | |
| SCHEMBL8368987 | 0.64 | — | — | |
| SCHEMBL12024890 | 0.64 | — | — | |
| SCHEMBL195061 | 0.64 | — | — | |
| SCHEMBL12024883 | 0.64 | — | — | |
| SCHEMBL8028611 | 0.62 | TDP1 (0.42) | — | |
| SCHEMBL3103928 | 0.62 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |