⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL236708 | 0.86 | LMNA (0.36) | — | |
| SCHEMBL1773709 | 0.86 | LMNA (0.36) | — | |
| SCHEMBL7847549 | 0.85 | TDP1 (0.38) | — | |
| SCHEMBL5907081 | 0.83 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL25277182 | 0.81 | LMNA (0.39) | — | |
| SCHEMBL12173811 | 0.81 | LMNA (0.39) | — | |
| SCHEMBL9413155 | 0.81 | LMNA (0.39) | — | |
| SCHEMBL8532460 | 0.81 | — | — | |
| SCHEMBL8719667 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL21247892 | 0.74 | TDP1 (0.38) | — |
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-0932656-A2 | HIGH USAGE OF FABRIC SOFTENER COMPOSITIONS FOR IMPROVED BENEFITS | THE PROCTER & GAMBLE COMPANY (US) | 1999-08-04 | — | — | EP | disclosed |
| WO-1998017757-A2 | HIGH USAGE OF FABRIC SOFTENER COMPOSITIONS FOR IMPROVED BENEFITS | THE PROCTER & GAMBLE COMPANY (US) | 1998-04-30 | — | — | WO | disclosed |