⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7712060 | 1.00 | — | — | |
| SCHEMBL505745 | 0.78 | — | — | |
| SCHEMBL12391177 | 0.78 | — | — | |
| SCHEMBL13839677 | 0.78 | — | — | |
| SCHEMBL18885613 | 0.74 | — | — | |
| SCHEMBL14043235 | 0.73 | — | — | |
| Carbamic Acid SCHEMBL28608634 | 0.71 | GRIK1 (0.38) | — | |
| SCHEMBL17887954 | 0.70 | — | — | |
| SCHEMBL1517902 | 0.69 | — | — | |
| SCHEMBL13596686 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998017756-A1 | CONCENTRATED FABRIC SOFTENING COMPOSITION | THE PROCTER & GAMBLE COMPANY (US) | 1998-04-30 | — | — | WO | claimed |
| US-6369025-B1 | USEFUL FOR SOFTENING CLOTH | THE PROCTER & GAMBLE COMPANY | 2002-04-09 | — | — | US | 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 |