SCHEMBL496830

SCHEMBL496830

C1=C[C]2OCOC2C=C1

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
SCHEMBL9951102 0.65
SCHEMBL11810865 0.63 ABCG2 (0.34)
SCHEMBL18805998 0.57
SCHEMBL2503096 0.55
SCHEMBL482353 0.54
SCHEMBL18301324 0.52
SCHEMBL2691142 0.51
SCHEMBL2813723 0.51
SCHEMBL4872377 0.46 DYRK1A (0.32)
Naphthalene SCHEMBL1272176 0.45 IDO1 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024141554-A1 COMPOUNDS AFFECTING KRAS UNIVERSITAT DE BARCELONA (ES) 2024-07-04 WO claimed
EP-4393908-A1 BIS-PYRAZOLYL-METHANE COMPOUNDS AFFECTING KRAS Universitat de Barcelona (ES) 2024-07-03 EP claimed
WO-2024099393-A1 ARYL-CONTAINING AMINE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 中国科学院上海药物研究所 2024-05-16 WO claimed
CN-116041198-A Method for synthesizing amide derivative by vanadium catalysis 陕西师范大学 2023-05-02 CN claimed
CN-112047797-B Method for preparing alpha-alkyl substituted ketone compound 赣南医学院 2023-04-07 CN claimed
CN-114853795-A Arylboron compound of conjugated olefin and preparation method and application thereof 南京工业大学 2022-08-05 CN claimed
CN-113683493-B Electron-rich conjugated diene compound, preparation method and application 四川大学 2022-06-10 CN claimed
EP-3324974-B1 COMPOUNDS, COMPOSITIONS, METHODS FOR TREATING DISEASES, AND METHODS FOR PREPARING COMPOUNDS UNIV LOUISVILLE RES FOUND INC (US) 2022-06-08 EP claimed
CN-111196922-B Application of pH-sensitive beta-carboline derivative fluorescent probe in tumor fluorescence imaging 南通大学 2022-05-06 CN claimed
US-11312690-B2 Compounds, compositions, methods for treating diseases, and methods for preparing compounds UNIVERSITY OF LOUSVILLE RESEARCH FOUNDATION, INC. (US) 2022-04-26 US claimed
EP-1216249-B1 THIENOISOXAZOLE PHENOXY UNSUBSTITUTED ETHYL AND PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMA INC (US) 2003-11-19 EP claimed
EP-1216250-B1 THIENOISOXAZOLYL AND THIENYLPYRRAZOLYL PHENOXY SUBSTITUTED PROPYL DERIVATIVES USEFUL AS D4 ANTAGONISTS AVENTIS PHARMA INC (US) 2003-11-19 EP claimed
CN-1120825-C Acylation method of aromatic compound RHONE POULENC CHIMIE (FR) 2003-09-10 CN claimed
EP-1216244-B1 Benzisoxazolyl-, pyridoisoxazolyl- and benzthienyl-phenoxy derivatives useful as D4 antagonists AVENTIS PHARMA INC (US) 2003-08-13 EP claimed
US-5998414-A PSYCHOLOGICAL DISORDERS HOECHST MARION ROUSSEL, INC. (US) 1999-12-07 US claimed
CN-1222131-A Acylation method for aromatic compound RHONE POULENC CHIMIE (FR) 1999-07-07 CN claimed
EP-0796270-A2 PEPTIDE COMPOUNDS FOR PREVENTION AND/OR TREATMENT OF NO-MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-09-24 EP claimed
WO-1996016981-A2 PEPTIDE COMPOUNDS FOR PREVENTION AND/OR TREATMENT OF NO-MEDIATED DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-06-06 WO claimed
US-4140681-A ANTICOAGULANTS MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1979-02-20 US claimed
US-4125604-A PEPTIDES, ANTITHROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1978-11-14 US claimed