⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2497709 | 0.83 | — | — | |
| SCHEMBL2496113 | 0.75 | — | — | |
| SCHEMBL6619963 | 0.75 | — | — | |
| SCHEMBL22300892 | 0.74 | — | — | |
| SCHEMBL2496092 | 0.74 | — | — | |
| SCHEMBL19956082 | 0.74 | ALDH1A1 (0.35) | — | |
| SCHEMBL5666423 | 0.73 | — | — | |
| SCHEMBL27642317 | 0.72 | ALDH1A1 (0.33) | — | |
| SCHEMBL19546380 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL4445064 | 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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106866463-B | The preparation method of Ai Shadulin intermediates | 富乐马鸿凯（大连）医药有限公司 | 2018-08-28 | — | — | CN | claimed |
| CN-106866463-A | The preparation method of Ai Shadulin intermediates | 大连鸿凯化工科技发展有限公司 | 2017-06-20 | — | — | CN | claimed |
| CN-106866463-B | The preparation method of Ai Shadulin intermediates | 富乐马鸿凯（大连）医药有限公司 | 2018-08-28 | — | — | CN | disclosed |
| EP-2072496-B1 | METHOD FOR PRODUCING HIGH-PURITY QUATERNARY AMMONIUM SALT | OTSUKA CHEMICAL CO LTD (JP) | 2017-11-15 | — | — | EP | disclosed |
| CN-106866463-A | The preparation method of Ai Shadulin intermediates | 大连鸿凯化工科技发展有限公司 | 2017-06-20 | — | — | CN | disclosed |
| US-8029689-B2 | Method for producing high-purity quaternary ammonium salt | OTSUKA CHEMICAL CO., LTD. (JP) | 2011-10-04 | — | — | US | disclosed |
| US-8029690-B2 | Process for production of highly pure 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 |