⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL346186 | 0.89 | ALDH1A1 (0.46) | — | |
| SCHEMBL11028859 | 0.86 | ALDH1A1 (0.35) | — | |
| SCHEMBL2494291 | 0.83 | MEN1 (0.32) | — | |
| SCHEMBL347612 | 0.80 | ALDH1A1 (0.40) | — | |
| SCHEMBL2497813 | 0.79 | KDM5A (0.37) | — | |
| Ether SCHEMBL324618 | 0.79 | ALDH1A1 (0.35) | — | |
| Hydrogen Sulfide SCHEMBL17888872 | 0.78 | ALDH1A1 (0.39) | — | |
| SCHEMBL20180993 | 0.77 | MEN1 (0.42) | — | |
| SCHEMBL5892554 | 0.75 | — | — | |
| SCHEMBL4392193 | 0.75 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2072496-B1 | METHOD FOR PRODUCING HIGH-PURITY QUATERNARY AMMONIUM SALT | OTSUKA CHEMICAL CO LTD (JP) | 2017-11-15 | — | — | EP | disclosed |
| US-8029690-B2 | Process for production of highly pure quaternary ammonium salt | OTSUKA CHEMICAL CO., LTD. (JP) | 2011-10-04 | — | — | US | disclosed |
| US-8029689-B2 | Method for producing high-purity quaternary ammonium salt | OTSUKA CHEMICAL CO., LTD. (JP) | 2011-10-04 | — | — | US | disclosed |
| US-20100044617-A1 | Method for producing high-purity quaternary ammonium salt | STELLA CHEMIFA CORPORATION (JP) | 2010-02-25 | — | — | US | disclosed |
| US-20090272933-A1 | Process for production of highly pure quaternary ammonium salt | STELLA CHEMIFA CORPORATION (JP) | 2009-11-05 | — | — | US | disclosed |
| EP-2098518-A1 | PROCESS FOR PRODUCTION OF HIGHLY PURE QUATERNARY AMMONIUM SALT | Otsuka Chemical Co., Ltd. (JP) | 2009-09-09 | — | — | EP | disclosed |
| EP-2072496-A1 | METHOD FOR PRODUCING HIGH-PURITY QUATERNARY AMMONIUM SALT | Otsuka Chemical Co., Ltd. (JP) | 2009-06-24 | — | — | EP | disclosed |
| US-7049275-B2 | Photoresist stripping composition and cleaning composition | MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) | 2006-05-23 | — | — | US | disclosed |
| US-4323691-A | Hydroxyaminomethyl derivatives of benzoyl di-substituted α-phenoxyalkanoyl esters | ABBOTT LABORATORIES (US) | 1982-04-06 | — | — | US | disclosed |