SCHEMBL542385

SCHEMBL542385

[C]#CCC1CCCCC1

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
SCHEMBL542962 0.97
SCHEMBL543052 0.91
SCHEMBL542144 0.84
SCHEMBL4842144 0.75 CHRM5 (0.38)
SCHEMBL1857079 0.72 CYP1A2 (0.42)
SCHEMBL7355454 0.72
SCHEMBL7359566 0.72
SCHEMBL7359326 0.72 TSHR (0.32)
SCHEMBL4836945 0.71 CHRM5 (0.33)
SCHEMBL7356954 0.71 TSHR (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 95 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8557849-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2013-10-15 US claimed
EP-4374877-A2 PHARMACEUTICAL CONTAINING SODIUM-DEPENDENT PHOSPHATE TRANSPORTER INHIBITOR AND PHOSPHORUS ADSORBENT FOR USE IN THE PREVENTION, TREATMENT OR SUPPRESSION OF CHRONIC KIDNEY DISEASE, ARTERIOSCLEROSIS ASSOCIATED WITH VASCULAR CALCIFICATION, OR ECTOPIC CALCIFICATION. CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2024-05-29 EP disclosed
EP-3928779-B1 PHARMACEUTICAL CONTAINING SODIUM-DEPENDENT PHOSPHATE TRANSPORTER INHIBITOR AND PHOSPHORUS ADSORBENT FOR USE IN THE PREVENTION, TREATMENT OR SUPPRESSION OF CHRONIC KIDNEY DISEASE, ARTERIOSCLEROSIS ASSOCIATED WITH VASCULAR CALCIFICATION, OR ECTOPIC CALCIFICATION. CHUGAI PHARMACEUTICAL CO LTD (JP) 2024-03-06 EP disclosed
CN-116751186-A Preparation and application of estrogen receptor modulator 南京知和医药科技有限公司 2023-09-15 CN disclosed
WO-2023088308-A1 ANTIMICROBIAL COMPOUND HAVING ANTI-DRUG RESISTANCE 石家庄迪斯凯威医药科技有限公司 2023-05-25 WO disclosed
CN-116135871-A Antibacterial compound with drug resistance 石家庄迪斯凯威医药科技有限公司 2023-05-19 CN disclosed
EP-3928779-A1 PHARMACEUTICAL CONTAINING SODIUM-DEPENDENT PHOSPHATE TRANSPORTER INHIBITOR AND PHOSPHORUS ADSORBENT FOR USE IN THE PREVENTION, TREATMENT OR SUPPRESSION OF CHRONIC KIDNEY DISEASE, ARTERIOSCLEROSIS ASSOCIATED WITH VASCULAR CALCIFICATION, OR ECTOPIC CALCIFICATION. Chugai Seiyaku Kabushiki Kaisha (JP) 2021-12-29 EP disclosed
EP-3192511-B1 PHARMACEUTICAL CONTAINING SODIUM-DEPENDENT PHOSPHATE TRANSPORTER INHIBITOR CHUGAI PHARMACEUTICAL CO LTD (JP) 2021-07-14 EP disclosed
US-20210163408-A1 METHOD FOR PREPARING A POLYFLUORINATED COMPOUND ETH ZURICH (CH) 2021-06-03 US disclosed
CN-112689623-A Process for preparing polyfluoro compounds 瑞士苏黎世联邦理工学院 2021-04-20 CN disclosed
WO-1994014815-A1 DIARYL 5,6-FUSEDHETEROCYCLIC ACIDS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1994-07-07 WO disclosed
EP-0604114-A1 Diaryl 5,6-fusedheterocyclic acids as leukotriene antagonists MERCK FROSST CANADA INC. (CA) 1994-06-29 EP disclosed
US-5318959-A A new miticides diaryl alkyl 1,2,4-triazoles KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1994-06-07 US disclosed
EP-0572142-A2 Novel 3,5-diphenyl substituted 1,2,4-triazoles and their use as insecticides and acaricides KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) 1993-12-01 EP disclosed
WO-1993021168-A1 THIAZOLE-SUBSTITUTED BENZYL ALCOHOLS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1993-10-28 WO disclosed
WO-1993021169-A1 BENZOTHIAZOLE-SUBSTITUTED BENZYL ALCOHOLS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1993-10-28 WO disclosed
WO-1993021158-A1 PYRIDINE-SUBSTITUTED BENZYL ALCOHOLS AS LEUKOTRIENE ANTAGONISTS MERCK FROSST CANADA INC. (CA) 1993-10-28 WO disclosed
EP-0255098-B1 Novel 8-(lower alkyl) bicyclo [4.2.0] octane derivatives with valuable therapeutic properties SYNTEX (U.S.A.) INC. (US) 1991-05-29 EP disclosed
EP-0255098-A1 Novel 8-(lower alkyl) bicyclo [4.2.0] octane derivatives with valuable therapeutic properties SYNTEX (U.S.A.) INC. (US) 1988-02-03 EP disclosed
US-4678805-A Novel 8-(lower alkyl)bicyclo[4.2.0]octane derivatives with valuable therapeutic properties SYNTEX (U.S.A.) INC. (US) 1987-07-07 US disclosed