⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21868453 | 0.72 | — | — | |
| SCHEMBL9697476 | 0.68 | — | — | |
| SCHEMBL20657784 | 0.67 | — | — | |
| SCHEMBL27008499 | 0.65 | — | — | |
| SCHEMBL6588998 | 0.65 | — | — | |
| SCHEMBL22487940 | 0.61 | OAT (0.47) | — | |
| SCHEMBL4442209 | 0.61 | — | — | |
| SCHEMBL7124580 | 0.61 | OAT (0.47) | — | |
| SCHEMBL11955118 | 0.61 | OAT (0.47) | — | |
| SCHEMBL8282268 | 0.61 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1352948-A1 | Concentrated, stable, fabric softening composition | THE PROCTER & GAMBLE COMPANY (US) | 2003-10-15 | — | — | EP | disclosed |
| EP-0842250-A1 | CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION | THE PROCTER & GAMBLE COMPANY (US) | 1998-05-20 | — | — | EP | disclosed |
| WO-1997003169-A1 | CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION | THE PROCTER & GAMBLE COMPANY (US) | 1997-01-30 | — | — | WO | disclosed |