⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7129912 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL27734295 | 0.97 | LMNA (0.40) | — | |
| SCHEMBL317452 | 0.85 | ALDH1A1 (0.35) | — | |
| SCHEMBL5881401 | 0.85 | GRIK1 (0.37) | — | |
| SCHEMBL13001269 | 0.85 | GRIK1 (0.37) | — | |
| SCHEMBL7124785 | 0.82 | LMNA (0.36) | — | |
| SCHEMBL7126105 | 0.82 | LMNA (0.36) | — | |
| SCHEMBL8595782 | 0.80 | FFAR1 (0.49) | — | |
| SCHEMBL5868510 | 0.79 | — | — | |
| SCHEMBL5868513 | 0.79 | — | — |
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 4 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-4544731-A | USING AN ORGANIC UNSATURATED COMPOUND, AS STABILIZER TO DECREASE HYDROLYZABLE HALIDE INHIBIT FURTHER POLYMERIZATION | THE DOW CHEMICAL COMPANY (US) | 1985-10-01 | — | — | US | disclosed |