SCHEMBL2906245

SCHEMBL2906245

COC(S)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
EPHX1 P07099 1/20 0.39
THRB P10828 1/20 0.39
DPP4 P27487 2/20 0.38
F2 P00734 1/20 0.38
TSHR P16473 1/20 0.38
CA4 P22748 1/20 0.38
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
LMNA P02545 1/20 0.36

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
Biphenyl SCHEMBL8131645 0.93 EPHX1 (0.43) KMT2AEPHX1THRB
SCHEMBL10737436 0.78 DPP4 (0.41) DPP4F2TSHRHTR2A
SCHEMBL29233222 0.74 IDO1 (0.45) DPP4F2
SCHEMBL21937865 0.73 THRB (0.53) KMT2AEPHX1THRBLMNA
SCHEMBL26689 0.72 KMT2A (0.44) KMT2AEPHX1THRBDPP4F2
SCHEMBL5474344 0.72 THRB (0.57) KMT2AEPHX1THRBDPP4F2
SCHEMBL5474351 0.72 THRB (0.57) KMT2AEPHX1THRBDPP4F2
SCHEMBL3842608 0.72 THRB (0.57) KMT2AEPHX1THRBDPP4F2
SCHEMBL5396533 0.72 THRB (0.57) KMT2AEPHX1THRBDPP4F2
SCHEMBL461448 0.72 IDO1 (0.47) KMT2AEPHX1THRBDPP4F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119613304-A Allicin derivative, preparation method and application 西北大学 2025-03-14 CN claimed
CN-102211989-B Preparation method of dimer analogues of natural resveratrol dimer analogues UNIV FUDAN 2014-06-11 CN claimed
CN-102211989-A Preparation method of dimer analogues of natural resveratrol dimer analogues UNIV FUDAN 2011-10-12 CN claimed
US-4145374-A OF STYRENE-METHYL METHACRYLATE AND BUTADIENE BORG-WARNER CORPORATION (US) 1979-03-20 US claimed
CN-119613304-A Allicin derivative, preparation method and application 西北大学 2025-03-14 CN disclosed
CN-119613304-A Allicin derivative, preparation method and application 西北大学 2025-03-14 CN disclosed
EP-4370227-A1 EPOXIDE-ACTIVATED SUBSTRATES AND HYDROPHOBIC INTERACTION CHROMATOGRAPHY MEMBRANE MADE THEREFROM Donaldson Company, Inc. (US) 2024-05-22 EP disclosed
EP-4251622-A1 AROMATIC BRIDGED RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. Hoffmann-La Roche AG (CH) 2023-10-04 EP disclosed
WO-2023287718-A1 EPOXIDE-ACTIVATED SUBSTRATES AND HYDROPHOBIC INTERACTION CHROMATOGRAPHY MEMBRANE MADE THEREFROM DONALDSON COMPANY, INC. (US) 2023-01-19 WO disclosed
WO-2022112205-A1 AROMATIC BRIDGED RING AMIDE DERIVATIVES FOR THE TREATMENT AND PROPHYLAXIS OF HEPATITIS B VIRUS INFECTION F. HOFFMANN-LA ROCHE AG (CH) 2022-06-02 WO disclosed
EP-3710453-A1 SINGLE ENANTIOMER ANTIPARASITIC COMPOUNDS Avista Pharma Solutions, Inc. (US) 2020-09-23 EP disclosed
CN-104119332-B Benzoheterocyclic compounds and its preparation method and application as kinases inhibitor 上海科州药物研发有限公司 2019-03-29 CN disclosed
CN-1158613-A New use and new derivatives of imidazole, their preparation, new intermediates obtained, their use as medicaments and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1997-09-03 CN disclosed
EP-0776325-A1 NOVEL USE AND NOVEL DERIVATIVES OF IMIDAZOLE, METHOD FOR PREPARING SAME, NOVEL INTERMEDIATES THUS OBTAINED, MEDICINAL APPLICATIONS OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ROUSSEL UCLAF (FR) 1997-06-04 EP disclosed
WO-1997017070-A1 INHIBITORS OF PROTEIN ISOPRENYL TRANSFERASES UNIVERSITY OF PITTSBURGH (US) 1997-05-15 WO disclosed
WO-1996041166-A2 DETECTION OF TRANSMEMBRANE POTENTIALS BY OPTICAL METHODS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1996-12-19 WO disclosed
WO-1996004276-A1 NOVEL USE AND NOVEL DERIVATIVES OF IMIDAZOLE, METHOD FOR PREPARING SAME, NOVEL INTERMEDIATES THUS OBTAINED, MEDICINAL APPLICATIONS OF SAME AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME ROUSSEL UCLAF (FR) 1996-02-15 WO disclosed
US-5079357-A Bactericides DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1992-01-07 US disclosed
EP-0406863-A1 Cyclic amidinylthiocarbapenem derivatives Banyu Pharmaceutical Co., Ltd. (JP) 1991-01-09 EP disclosed
US-4145374-A OF STYRENE-METHYL METHACRYLATE AND BUTADIENE BORG-WARNER CORPORATION (US) 1979-03-20 US disclosed