⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5703445 | 1.00 | — | — | |
| SCHEMBL317753 | 0.87 | NFKB1 (0.41) | — | |
| SCHEMBL7122498 | 0.86 | THRB (0.40) | — | |
| SCHEMBL7122504 | 0.86 | THRB (0.40) | — | |
| SCHEMBL5868604 | 0.83 | THRB (0.42) | — | |
| SCHEMBL5868601 | 0.83 | THRB (0.42) | — | |
| SCHEMBL11333970 | 0.82 | FFAR1 (0.42) | — | |
| SCHEMBL5214461 | 0.80 | — | — | |
| SCHEMBL5214456 | 0.80 | — | — | |
| SCHEMBL9419917 | 0.79 | THRB (0.39) | — |
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 5 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 |
| EP-2854782-A1 | ANTISPASMODIC 1,2-DIOLS AND 1,2,3-TRIOLS | Prima Innovations LLC (US) | 2015-04-08 | — | — | EP | disclosed |
| WO-2013181084-A1 | ANTISPASMODIC 1,2-DIOLS AND 1,2,3-TRIOLS | PRIMA INNOVATIONS LLC (US) | 2013-12-05 | — | — | WO | disclosed |