⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3383991 | 0.85 | — | — | |
| SCHEMBL5835096 | 0.85 | ALDH1A1 (0.44) | — | |
| SCHEMBL10503911 | 0.80 | — | — | |
| SCHEMBL18184519 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL9460085 | 0.78 | MAPK1 (0.36) | — | |
| SCHEMBL2126231 | 0.76 | — | — | |
| SCHEMBL1286260 | 0.76 | — | — | |
| SCHEMBL2745292 | 0.76 | — | — | |
| SCHEMBL8613595 | 0.76 | — | — | |
| SCHEMBL11880414 | 0.76 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114247476-A | Zirconium-based catalytic system and method for preparing linear alpha-olefin by catalyzing ethylene oligomerization through zirconium-based catalytic system | 北京化工大学 | 2022-03-29 | — | — | CN | claimed |
| CN-109134716-B | Vanadium catalyst and method for preparing olefin polymer | 北京引发科技有限公司 | 2020-11-10 | — | — | CN | claimed |
| WO-2023178754-A1 | METHOD FOR CONTINUOUSLY SYNTHESIZING N-BOC-2,5-DIHYDROPYRROLE | 凯莱英生命科学技术(天津)有限公司 | 2023-09-28 | — | — | WO | disclosed |
| CN-114247476-A | Zirconium-based catalytic system and method for preparing linear alpha-olefin by catalyzing ethylene oligomerization through zirconium-based catalytic system | 北京化工大学 | 2022-03-29 | — | — | CN | disclosed |
| WO-2021008607-A1 | SUBSTITUTED 1,2,4-TRIAZOLO[4,3-A]PYRIDINE DERIVATIVE AND PREPARATION METHOD, HERBICIDAL COMPOSITION AND APPLICATION THEREOF | 青岛清原化合物有限公司 | 2021-01-21 | — | — | WO | disclosed |
| CN-109134716-B | Vanadium catalyst and method for preparing olefin polymer | 北京引发科技有限公司 | 2020-11-10 | — | — | CN | disclosed |
| EP-2952505-B1 | A HINDERED PHENOL COMPOUND, PREPARATION THEREOF AND USE THEREOF AS AN ANTIOXIDANT | CHINA PETROLEUM & CHEM CORP (CN) | 2018-05-23 | — | — | EP | disclosed |
| WO-2018071327-A1 | MOLECULES HAVING PESTICIDAL UTILITY, AND INTERMEDIATES, COMPOSITIONS, AND PROCESSES, RELATED THERETO | DOW AGROSCIENCES LLC (US) | 2018-04-19 | — | — | WO | disclosed |
| US-9708314-B2 | Heterocyclic amide compound | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2017-07-18 | — | — | US | disclosed |
| US-9512380-B2 | Hindered phenol compound, preparation thereof and use thereof as an antioxidant | CHINA PETROLEUM & CHEMICAL CORPORATION (CN) | 2016-12-06 | — | — | US | disclosed |
| US-20150353858-A1 | HINDERED PHENOL COMPOUND, PREPARATION THEREOF AND USE THEREOF AS AN ANTIOXIDANT | RESEARCH INSTITUTE OF PETROLEUM PROCESSING, SINOPEC (CN) | 2015-12-10 | — | — | US | disclosed |
| EP-2952505-A1 | A hindered phenol compound, preparation thereof and use thereof as an antioxidant | China Petroleum & Chemical Corporation (CN) | 2015-12-09 | — | — | EP | disclosed |
| US-20100217003-A1 | 1,2,3,4-TETRAHYDROISOQUINOLINE DERIVATIVES HAVING EFFECTS OF PREVENTING AND TREATING DEGENERATIVE AND INFLAMMATORY DISEASES | UNIVERSITY OF ULSAN FOUNDATION FOR INDUSTRY COOPERATION (KR) | 2010-08-26 | — | — | US | disclosed |
| US-4605539-A | Phosphonitrilic chloride trimer purification | ETHYL CORPORATION (US) | 1986-08-12 | — | — | US | disclosed |
| US-4336195-A | Preparation of cyclic ethers | THE DOW CHEMICAL COMPANY (US) | 1982-06-22 | — | — | US | disclosed |
| US-3976706-A | Process for the preparation of tricyclo [5.3.1.03,8 ]undecane | KAO SOAP CO., LTD. (JA) | 1976-08-24 | — | — | US | disclosed |