SCHEMBL169459

SCHEMBL169459

CCCCCBr.[MgH2]

nearest known ligand 0.00

⚠ 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL335804 0.96 TSHR (0.57)
SCHEMBL4514648 0.96 TSHR (0.57)
SCHEMBL1784070 0.96
SCHEMBL19385435 0.96 TSHR (0.57)
SCHEMBL4517239 0.96 TSHR (0.57)
SCHEMBL597810 0.96
SCHEMBL4219652 0.96 TSHR (0.57)
SCHEMBL592867 0.96 TSHR (0.57)
SCHEMBL8139520 0.96 TSHR (0.57)
SCHEMBL11694103 0.96 TSHR (0.57)

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 1050 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119798181-A (R) -4-isopropyl-3- ((R) -2-methyl-5-hexenoyl) oxazolidin-2-one and application thereof in synthesis of inchworm sex pheromone component of Western iron yew 山东省农业科学院 2025-04-11 CN claimed
CN-118772194-A Alkyl germanium compound, preparation method and application 宝鸡文理学院 2024-10-15 CN claimed
CN-111393265-B Synthesis method of 3, 5-dihydroxybenzene 安徽中羰碳一工业技术有限责任公司 2024-08-02 CN claimed
CN-117945858-A Synthesis method of cannabidiol, intermediate and preparation method thereof 南京派康医疗科技有限公司 2024-04-30 CN claimed
CN-114276222-B Diaryl benzyl alcohol compound as polypeptide liquid phase synthesis carrier and preparation method and application thereof 杭州澳赛诺生物科技有限公司 2024-04-09 CN claimed
CN-116903552-A Chiral alpha-amino alcohol compound and preparation method and application thereof 上海大学 2023-10-20 CN claimed
WO-2023184731-A1 PREPARATION METHOD FOR 4- 10 BORIC ACID-L-PHENYLALANINE INTERMEDIATE 海南普利制药股份有限公司 2023-10-05 WO claimed
CN-116768733-A Aryl cyclic ammonium salt arylation and silicon-based method 中国科学技术大学 2023-09-19 CN claimed
CN-114835755-B Catalyst of metal complex of biphosphinamide in catalytic polymerization, and preparation method 常州德能新材料有限公司 2023-08-18 CN claimed
CN-116283708-A Heptamethine cyanine iron death inducer, synthesis and application thereof 中国人民解放军陆军军医大学 2023-06-23 CN claimed
CN-1142140-C Acylation method ������ҩ�����޹�˾ 2004-03-17 CN claimed
EP-1088817-B1 Process for the preparation of 3-acyl-indoles PFIZER LTD (GB) 2003-02-26 EP claimed
US-20020188138-A1 Acylation process PFIZER INC. 2002-12-12 US claimed
US-6441192-B1 ADDING ACID CHLORIDE AND ALKYL OR ARYL MAGNESIUM HALIDE SEPARATELY AND SIMULTANEOUSLY TO A STIRRED SOLUTION OF AN INDOLE SUCH THAT THE TWO REAGENTS DO NOT COME INTO IMMEDIATE CONTACT; SYNCHRONISED RATES OF MOLAR ADDITION PFIZER INC. 2002-08-27 US claimed
CN-1290697-A Acylation method PFIZER (US) 2001-04-11 CN claimed
EP-1088817-A2 Process for the preparation of 3-acyl-indoles Pfizer Limited (GB) 2001-04-04 EP claimed
US-5623087-A Method for preparation of optically active diarylalanines NDSU-RESEARCH FOUNDATION (US) 1997-04-22 US claimed
EP-0558656-A1 NEW METHODS FOR THE CATALYTIC REDUCTION OF ORGANIC SUBSTRATES. MASSACHUSETTS INST TECHNOLOGY (US) 1993-09-08 EP claimed
WO-1992009545-A2 NEW METHODS FOR THE CATALYTIC REDUCTION OF ORGANIC SUBSTRATES MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 1992-06-11 WO claimed
US-4144397-A Preparation of 2-aryl-propionic acids by direct coupling utilizing a mixed magnesium halide complex SYNTEX CORPORATION (US) 1979-03-13 US claimed