SCHEMBL385464

SCHEMBL385464

CC(=O)C1CC[CH]CC1

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
SCHEMBL384060 0.86
SCHEMBL8719204 0.83 MAPT (0.37)
SCHEMBL13165462 0.78 MAPT (0.38)
SCHEMBL76462 0.78
SCHEMBL2617044 0.78 MAPT (0.38)
SCHEMBL13165512 0.78 MAPT (0.38)
SCHEMBL31461753 0.76
Ammonia Solution, Strong SCHEMBL29124228 0.76
SCHEMBL27641897 0.76
Hydrochloric Acid SCHEMBL27993671 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012050237-A1 PYRIMIDINE COMPOUNDS AND THEIR USE AS PESTICIDES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-04-19 WO disclosed
US-8101650-B2 Method for treating a immunology-related disease DAIICHI SANKYO COMPANY, LIMITED (JP) 2012-01-24 US disclosed
US-8067396-B2 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2011-11-29 US disclosed
US-8003663-B2 N-{[1,6-diethyl-4-(tetrahydro-2H-pyran-4-ylamino)-1H-pyrazolo[3,4-b]pyridin-5-yl]methyl}-4-({8-[(2-hydroxyethyl)(methyl)amino]octanoyl}amino)benzamide; phosphodiesterase inhibitor; antiinflammatory, antiallergenic agent; chronic obstructive pulmonary disease (COPD), asthma, or rhinitis GLAXO GROUP LIMITED (GB) 2011-08-23 US disclosed
EP-2046787-B1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LTD (GB) 2011-04-06 EP disclosed
EP-1940835-B1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LTD (GB) 2011-03-30 EP disclosed
US-20100035842-A1 Amino alcohol compounds or phosphonic acid derivatives thereof SANKYO COMPANY, LIMITED (JP) 2010-02-11 US disclosed
US-20090326038-A1 Method for treating a immunology-related disease SANKYO COMPANY, LIMITED (JP) 2009-12-31 US disclosed
US-20090325952-A1 PYRAZOLO[3,4-B]PYRIDINE COMPOUNDS, AND THEIR USE AS PDE4 INHIBITORS GLAXO GROUP LIMITED 2009-12-31 US disclosed
US-20090326003-A1 PYRAZOLO (3, 4-B) PYRIDINE DERIVATIVES AS PDE4 INHIBITORS GLAXO GROUP LIMITED (GB) 2009-12-31 US disclosed
US-4307016-A FUNGICIDES, PROTOZOACIDES OR ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-12-22 US disclosed
US-4294757-A BLEACHING CELLULOSE FIBERS AND ADDITION OF ALKALI METAL POLYPHOSPHATES AND ALKALI METAL DIETHYLENETRIAMINE PENTA(METHYLENE PHOSPHONAT) TAKEDA CHEMICAL INDUSTRIES, LTD (JP) 1981-10-13 US disclosed
US-4260608-A ANTIMICROBIAL, ANTIMITOTIC, AND ANTITUMOR AGENTS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-04-07 US disclosed
US-4256746-A ANTITUMOR AGENTS; MICROBIOCIDES; MITOSIS TAKEDA CHEMICAL INDUSTRIES (JP) 1981-03-17 US disclosed
US-4248870-A MICROBIOCIDES, ANTITUMOR AGENTS, AND ANTIMITOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1981-02-03 US disclosed
EP-0014402-A1 Novel 20-0-acylmaytansinoids, process for their preparation and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-08-20 EP disclosed
EP-0011277-A1 Dechloromaytansinoids, their production and use and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-05-28 EP disclosed
EP-0011276-A1 Maytansinoids, their production and use Takeda Chemical Industries, Ltd. (JP) 1980-05-28 EP disclosed
EP-0010735-A1 Maytansinoids, their production and pharmaceutical compositions containing them Takeda Chemical Industries, Ltd. (JP) 1980-05-14 EP disclosed
EP-0004466-A1 Demethyl maytansinoids and methods for producing them Takeda Chemical Industries, Ltd. (JP) 1979-10-03 EP disclosed