⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8014451 | 0.69 | AKR1B1 (0.53) | — | |
| SCHEMBL8014456 | 0.69 | AKR1B1 (0.53) | — | |
| SCHEMBL66720 | 0.67 | — | — | |
| SCHEMBL21810946 | 0.65 | — | — | |
| SCHEMBL93405 | 0.64 | — | — | |
| SCHEMBL1332346 | 0.64 | — | — | |
| SCHEMBL7900420 | 0.64 | — | — | |
| SCHEMBL10702346 | 0.64 | — | — | |
| SCHEMBL22833843 | 0.64 | — | — | |
| SCHEMBL284308 | 0.64 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-3932495-A | FROM ALKYLENE OXIDE, ALIPHATIC ALCOHOL, EPICHLOROHYDRIN | MODOKEMI AKTIEBOLAG (SW) | 1976-01-13 | — | — | US | claimed |
| WO-2002081425-A1 | AMINE AND QUATERNARY AMMONIUM SALT DERIVATIVES OF GLYCIDYL ETHERS AND GLYCIDYL ESTERS | AKZO NOBEL SURFACE CHEMISTRY AB (SE) | 2002-10-17 | — | — | WO | disclosed |
| US-20020147127-A1 | Amine and quaternary ammonium salt derivatives of glycidyl ethers and glycidyl esters | CROMPTON CORPORATION | 2002-10-10 | — | — | US | disclosed |
| US-4144122-A | TO REDUCE INTER-FIBER BONDING | BEROL KEMI AB (SE) | 1979-03-13 | — | — | US | disclosed |
| US-3972855-A | ANTISTATIC | MODOKEMI AKTIEBOLAG (SW) | 1976-08-03 | — | — | US | disclosed |
| US-3932495-A | FROM ALKYLENE OXIDE, ALIPHATIC ALCOHOL, EPICHLOROHYDRIN | MODOKEMI AKTIEBOLAG (SW) | 1976-01-13 | — | — | US | disclosed |
| US-3932495-A | FROM ALKYLENE OXIDE, ALIPHATIC ALCOHOL, EPICHLOROHYDRIN | MODOKEMI AKTIEBOLAG (SW) | 1976-01-13 | — | — | US | disclosed |