⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5370853 | 1.00 | — | — | |
| SCHEMBL7127223 | 0.86 | SPHK2 (0.53) | — | |
| SCHEMBL7127220 | 0.86 | SPHK2 (0.53) | — | |
| SCHEMBL8733249 | 0.86 | SPHK2 (0.53) | — | |
| SCHEMBL8733253 | 0.86 | SPHK2 (0.53) | — | |
| SCHEMBL7125595 | 0.84 | SPHK2 (0.61) | — | |
| SCHEMBL7125592 | 0.84 | SPHK2 (0.61) | — | |
| SCHEMBL15466708 | 0.82 | SPHK2 (0.64) | — | |
| SCHEMBL10801697 | 0.82 | SPHK2 (0.64) | — | |
| SCHEMBL3200152 | 0.82 | SPHK2 (0.64) | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20030153483-A1 | Concentrated, stable fabric softening composition | TRINH TOAN (US) | 2003-08-14 | — | — | US | claimed |
| EP-0842250-A1 | CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION | THE PROCTER & GAMBLE COMPANY (US) | 1998-05-20 | — | — | EP | claimed |
| WO-1997003169-A1 | CONCENTRATED, STABLE FABRIC SOFTENING COMPOSITION | THE PROCTER & GAMBLE COMPANY (US) | 1997-01-30 | — | — | WO | claimed |
| US-7199252-B2 | Process for α,β-dihydroxyalkenes and derivatives | EASTMAN CHEMICAL COMPANY (US) | 2007-04-03 | — | — | US | disclosed |
| US-7002049-B2 | Process for α,β-dihydroxyalkenes and derivatives | EASTMAN CHEMICAL COMPANY (US) | 2006-02-21 | — | — | US | disclosed |
| US-20060030742-A1 | Process for alpha,beta-dihydroxyalkenes and derivatives | HEMBRE ROBERT T | 2006-02-09 | — | — | US | disclosed |
| US-20040044229-A1 | Process for alpha,beta-dihydroxyalkenes and derivatives | HEMBRE ROBERT THOMAS (US) | 2004-03-04 | — | — | US | disclosed |