SCHEMBL291471

SCHEMBL291471

CC1=C(C)C=CC[CH]1

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
SCHEMBL6845460 0.75
SCHEMBL16823348 0.75
SCHEMBL4074470 0.75
SCHEMBL9336084 0.75
SCHEMBL4753612 0.75
SCHEMBL15515122 0.69
SCHEMBL3920447 0.69
SCHEMBL4807799 0.68 TDP1 (0.35)
SCHEMBL3836449 0.68
SCHEMBL5156759 0.66 ALDH1A1 (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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014002110-A1 SUBSTITUTUED PYRAZOLE COMPOUNDS AND PROCESS FOR PREPARATION THEREOF. RALLIS INDIA LIMITED (IN) 2014-01-03 WO claimed
EP-0202054-B1 PRODUCTION OF S-ARYL S-ALKYL DITHIOCARBONATES, ARENETHIOLS AND ARYTHIOETHERS COURTAULDS PLC (GB) 1990-07-25 EP claimed
US-4711967-A PYROLYTICALLY ISOMERIZING AND O-ARYL S-ALKYL DITHIOCARBONATE COURTAULDS PLC (GB) 1987-12-08 US claimed
EP-0202054-A1 Production of S-aryl S-alkyl dithiocarbonates, arenethiols and arythioethers COURTAULDS PLC (GB) 1986-11-20 EP claimed
US-20230390190-A1 FILM FORMULATIONS CONTAINING DEXMEDETOMIDINE AND METHODS OF PRODUCING THEM E.Z. BIOXCEL SOLUTIONS PVT. LTD. (IN) 2023-12-07 US disclosed
US-11806429-B2 Film formulations containing dexmedetomidine and methods of producing them BIOXCEL THERAPEUTICS, INC. (US) 2023-11-07 US disclosed
US-20230140624-A1 FILM FORMULATIONS CONTAINING DEXMEDETOMIDINE AND METHODS OF PRODUCING THEM OAKTREE FUND ADMINISTRATION, LLC 2023-05-04 US disclosed
US-11559484-B2 Film formulations containing dexmedetomidine and methods of producing them BIOXCEL THERAPEUTICS, INC. (US) 2023-01-24 US disclosed
US-11517524-B2 Film formulations containing dexmedetomidine and methods of producing them BIOXCEL THERAPEUTICS, INC. (US) 2022-12-06 US disclosed
US-20220160629-A1 FILM FORMULATIONS CONTAINING DEXMEDETOMIDINE AND METHODS OF PRODUCING THEM OAKTREE FUND ADMINISTRATION, LLC 2022-05-26 US disclosed
US-20220142918-A1 FILM FORMULATIONS CONTAINING DEXMEDETOMIDINE AND METHODS OF PRODUCING THEM OAKTREE FUND ADMINISTRATION, LLC 2022-05-12 US disclosed
US-20210077388-A1 FILM FORMULATIONS CONTAINING DEXMEDETOMIDINE AND METHODS OF PRODUCING THEM OAKTREE FUND ADMINISTRATION, LLC 2021-03-18 US disclosed
WO-1997028140-A1 NOVEL PIPERIDINES DERIVED FROM 1-/(PIPERAZIN-1-YL)ARYL(OXY/AMINO)CARBONYL/-4-ARYL-PIPERIDINE AS SELECTIVE 5-HT1Db RECEPTOR ANTAGONISTS PIERRE FABRE MEDICAMENT (FR) 1997-08-07 WO disclosed
EP-0584091-A1 BENZOPYRANONES, METHODS OF MANUFACTURE AND USE THEREOF. SCHWABE WILLMAR GMBH & CO (DE) 1994-03-02 EP disclosed
WO-1992018493-A1 BENZOPYRANONES, METHODS OF MANUFACTURE AND USE THEREOF DR. WILLMAR SCHWABE GMBH & CO. (DE) 1992-10-29 WO disclosed
US-5013749-A Imidazole derivatives and their use as hypercholesterolemia and hyperlipoproteinemia agents GLAXO GROUP LIMITED (GB) 1991-05-07 US disclosed
EP-0202054-B1 PRODUCTION OF S-ARYL S-ALKYL DITHIOCARBONATES, ARENETHIOLS AND ARYTHIOETHERS COURTAULDS PLC (GB) 1990-07-25 EP disclosed
US-4711967-A PYROLYTICALLY ISOMERIZING AND O-ARYL S-ALKYL DITHIOCARBONATE COURTAULDS PLC (GB) 1987-12-08 US disclosed
EP-0202054-A1 Production of S-aryl S-alkyl dithiocarbonates, arenethiols and arythioethers COURTAULDS PLC (GB) 1986-11-20 EP disclosed
EP-0030632-A2 Benzothiazole derivatives, pharmaceutical compositions containing them and process for their preparation MERCK PATENT GmbH (DE) 1981-06-24 EP disclosed