SCHEMBL542574

SCHEMBL542574

[CH2]CC1C=CCC1

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
SCHEMBL542784 0.84
SCHEMBL4681842 0.82
SCHEMBL8183983 0.80
SCHEMBL2677665 0.80
SCHEMBL8184916 0.80
SCHEMBL8186804 0.80
SCHEMBL8184909 0.80
SCHEMBL6014417 0.79
SCHEMBL3292247 0.75
SCHEMBL259931 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4243672-A CARDIOVASCULAR DISORDERS; CARDIOTONIC AGENTS PFIZER INC. (US) 1981-01-06 US claimed
EP-2006279-B1 METHOD FOR PRODUCTION OF A PHOSPHATE SALT OF AN AMINO ACID COSMO ALA CO LTD (JP) 2016-04-27 EP disclosed
US-8937090-B2 Parakeratosis inhibitor, pore-shrinking agent and external composition for skin SHISEIDO COMPANY, LTD. (JP) 2015-01-20 US disclosed
US-8790712-B2 Constitutional function-improving agents COSMO OIL CO., LTD. (JP) 2014-07-29 US disclosed
EP-1728505-B1 PREPARATION WITH ELEVATED CONTENT TAKEDA PHARMACEUTICAL (JP) 2014-06-04 EP disclosed
EP-2727589-A1 Constitutional function-improving agents COSMO OIL CO., LTD. (JP) 2014-05-07 EP disclosed
EP-1728504-B1 EMULSION STABILIZER TAKEDA PHARMACEUTICAL (JP) 2013-07-31 EP disclosed
CN-101346347-B Method for production of phosphate salt of amino acid COSMO OIL CO LTD 2013-07-31 CN disclosed
US-8471061-B2 5-aminolevulinic acid salt, process for producing the same and use thereof COSMO OIL CO., LTD. (JP) 2013-06-25 US disclosed
CN-101885736-B 5-aminolevulinic acid phosphate salt, process for producing the same and use thereof COSMO OIL CO LTD 2012-10-03 CN disclosed
US-5120738-A Cardiovascular disorders FUJIREBIO INC. (JP) 1992-06-09 US disclosed
EP-0421441-A2 Pantothenic acid derivatives FUJIREBIO INC. (JP) 1991-04-10 EP disclosed
EP-0228192-A2 Renin-inhibitory oligopeptides, their preparation and use SANKYO COMPANY LIMITED (JP) 1987-07-08 EP disclosed
EP-0065730-B1 9-THIOMAYTANSINOIDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1986-09-10 EP disclosed
EP-0186977-A2 Renin-inhibitory dipeptides, their preparation and use SANKYO COMPANY LIMITED (JP) 1986-07-09 EP disclosed
US-4424219-A ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1984-01-03 US disclosed
EP-0065730-A1 9-Thiomaytansinoids, their production and use Takeda Chemical Industries, Ltd. (JP) 1982-12-01 EP disclosed
US-4256746-A ANTITUMOR AGENTS; MICROBIOCIDES; MITOSIS TAKEDA CHEMICAL INDUSTRIES (JP) 1981-03-17 US disclosed
US-4243672-A CARDIOVASCULAR DISORDERS; CARDIOTONIC AGENTS PFIZER INC. (US) 1981-01-06 US disclosed
EP-0011277-A1 Dechloromaytansinoids, their production and use and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-05-28 EP disclosed