⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2702554 | 0.90 | — | — | |
| SCHEMBL22223168 | 0.84 | — | — | |
| SCHEMBL2854864 | 0.82 | CYP2C19 (0.37) | — | |
| SCHEMBL11408757 | 0.80 | ALDH1A1 (0.37) | — | |
| SCHEMBL11388536 | 0.80 | CYP2C19 (0.35) | — | |
| SCHEMBL28979974 | 0.78 | FFAR3 (0.36) | — | |
| SCHEMBL11388560 | 0.78 | CA1 (0.33) | — | |
| SCHEMBL18870222 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL6346094 | 0.75 | — | — | |
| SCHEMBL4418940 | 0.73 | ALDH1A1 (0.32) | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109438166-B | (1S,2S,4S) -beta-elemene and preparation method and application thereof | 石药集团远大(大连)制药有限公司 | 2021-06-04 | — | — | CN | claimed |
| CN-113278169-A | Primary mixture of crosslinking initiator and accelerator | 阿肯马法国公司 | 2021-08-20 | — | — | CN | disclosed |
| CN-109438166-B | (1S,2S,4S) -beta-elemene and preparation method and application thereof | 石药集团远大(大连)制药有限公司 | 2021-06-04 | — | — | CN | disclosed |
| CN-109438166-B | (1S,2S,4S) -beta-elemene and preparation method and application thereof | 石药集团远大(大连)制药有限公司 | 2021-06-04 | — | — | CN | disclosed |
| US-10808051-B2 | Primer mixture of crosslinking initiator and promoter | ARKEMA FRANCE (FR) | 2020-10-20 | — | — | US | disclosed |
| EP-2895536-B1 | PRIMARY MIXTURE OF CROSSLINKING INITIATOR AND PROMOTER | ARKEMA FRANCE (FR) | 2017-06-14 | — | — | EP | disclosed |
| US-20150239997-A1 | PRIMER MIXTURE OF CROSSLINKING INITIATOR AND PROMOTER | ARKEMA FRANCE (FR) | 2015-08-27 | — | — | US | disclosed |
| EP-2895536-A1 | PRIMARY MIXTURE OF CROSSLINKING INITIATOR AND PROMOTER | Arkema France (FR) | 2015-07-22 | — | — | EP | disclosed |
| WO-2014041287-A1 | PRIMARY MIXTURE OF CROSSLINKING INITIATOR AND PROMOTER | ARKEMA FRANCE (FR) | 2014-03-20 | — | — | WO | disclosed |
| EP-2215057-B1 | PROCESS FOR PRODUCING ALKYLBENZENE HYDROPEROXIDE | SUMITOMO CHEMICAL CO (JP) | 2013-07-03 | — | — | EP | disclosed |
| US-8093433-B2 | Process for producing alkylbenzene hydroperoxide | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2012-01-10 | — | — | US | disclosed |
| US-20100317899-A1 | PROCESS FOR PRODUCING ALKYLBENZINE HYDROPEROXIDE | SUMITOMO CHEMICAL COMPANY ,LIMITED (JP) | 2010-12-16 | — | — | US | disclosed |
| EP-2215057-A1 | PROCESS FOR PRODUCING ALKYLBENZENE HYDROPEROXIDE | Sumitomo Chemical Company, Limited (JP) | 2010-08-11 | — | — | EP | disclosed |
| CN-101708161-A | Elemene injection and preparation method thereof | DALIAN HOLLEY KINGKONG PHARMAC | 2010-05-19 | — | — | CN | disclosed |
| WO-2009057798-A1 | PROCESS FOR PRODUCING ALKYLBENZENE HYDROPEROXIDE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2009-05-07 | — | — | WO | disclosed |
| WO-2002077089-A1 | CROSSLINKING COMPOSITION AND CROSSLINKABLE COMPOSITION | ATOFINA (FR) | 2002-10-03 | — | — | WO | disclosed |
| CN-1084187-C | Method for preparing anti-cancer medicine using beta-elemene as main effective ingredient, and components of the medicine | CHINA YUANDA INTERNAT GROUP CO (CN) | 2002-05-08 | — | — | CN | disclosed |