⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL811223 | 1.00 | — | — | |
| SCHEMBL16369042 | 0.85 | FPR2 (0.47) | — | |
| SCHEMBL11589501 | 0.85 | FPR2 (0.33) | — | |
| SCHEMBL5868367 | 0.81 | GRIK1 (0.31) | — | |
| SCHEMBL5868362 | 0.81 | GRIK1 (0.31) | — | |
| SCHEMBL15448110 | 0.79 | FPR2 (0.37) | — | |
| SCHEMBL15448083 | 0.79 | FPR2 (0.37) | — | |
| SCHEMBL6129675 | 0.78 | — | — | |
| SCHEMBL13560222 | 0.78 | — | — | |
| SCHEMBL11651521 | 0.78 | — | — |
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-6210790-B1 | TRANSPARENCY, HARDNESS, ABRASION-RESISTANCE | RENSSELAER POLYTECHNIC INSTITUTE | 2001-04-03 | — | — | US | disclosed |
| EP-0888424-A1 | FABRIC SOFTENING COMPOUND/COMPOSITION | THE PROCTER & GAMBLE COMPANY (US) | 1999-01-07 | — | — | EP | disclosed |
| WO-1998007809-A2 | HARD SURFACE CLEANERS COMPRISING β-KETOESTER PRO-FRAGRANCES | THE PROCTER & GAMBLE COMPANY (US) | 1998-02-26 | — | — | WO | disclosed |
| WO-1997034972-A1 | FABRIC SOFTENING COMPOUND/COMPOSITION | THE PROCTER & GAMBLE COMPANY (US) | 1997-09-25 | — | — | WO | disclosed |
| WO-1993002997-A1 | METHOD OF PREPARING CYCLOPENTANONES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 1993-02-18 | — | — | WO | disclosed |