⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12519251 | 1.00 | — | — | |
| SCHEMBL7124752 | 1.00 | — | — | |
| SCHEMBL5868343 | 0.84 | — | — | |
| SCHEMBL536328 | 0.84 | — | — | |
| SCHEMBL5868366 | 0.82 | ACHE (0.37) | — | |
| SCHEMBL5868361 | 0.82 | ACHE (0.37) | — | |
| SCHEMBL5868567 | 0.82 | TRPA1 (0.41) | — | |
| SCHEMBL5868564 | 0.82 | TRPA1 (0.41) | — | |
| SCHEMBL3418051 | 0.78 | — | — | |
| Ethylene Glycol SCHEMBL1425224 | 0.78 | AKR1B1 (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 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-4351962-A | Process for the preparation of hydroxy benzene carboxaldehydes | RHONE POULENC INC. (US) | 1982-09-28 | — | — | US | disclosed |