SCHEMBL96802

SCHEMBL96802

O=[C]CCC1CCCC1

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
SCHEMBL2704009 0.97 CYP1A2 (0.42)
SCHEMBL911042 0.97 CYP1A2 (0.42)
SCHEMBL5218136 0.94
SCHEMBL98082 0.88
SCHEMBL2076620 0.84 CYP1A2 (0.46)
SCHEMBL99022 0.82 CYP1A2 (0.50)
SCHEMBL8390897 0.82 CYP1A2 (0.50)
SCHEMBL7350448 0.80 SIGMAR1 (0.50)
SCHEMBL97094 0.80 SIGMAR1 (0.50)
SCHEMBL1335898 0.80 SIGMAR1 (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113999237-B Nucleoside prodrug and application thereof 润佳(苏州)医药科技有限公司 2023-08-08 CN claimed
EP-2755983-B1 SUBSTITUTED CARBONYLOXYMETHYLPHOSPHORAMIDATE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF VIRAL INFECTIONS IDENIX PHARMACEUTICALS LLC (US) 2017-03-15 EP claimed
US-8357675-B2 17-alpha-substituted derivatives of estradiol with wound-healing activity EUTICALS S.P.A. (IT) 2013-01-22 US claimed
US-8273740-B2 antiallergen; not direct way to change nature of immunological response to allergen; G-protein-coupled \"chemoattractant receptor-homologous molecule expressed on Th2 cells (CRTH2)\" antagonist for prostaglandin PGD2, that mediates PGD2-dependent migration of blood Th2 cells; ; asthma, rhinitis, COPD ACTELION PHARMACEUTICALS, LTD. (CH) 2012-09-25 US claimed
US-8034936-B2 Spirocyclic cyclohexane compounds useful to treat substance dependency GRUENENTHAL GMBH (DE) 2011-10-11 US claimed
US-20110053970-A1 Spirocyclic Cyclohexane Compounds Useful To Treat Substance Dependency GRUENENTHAL GMBH (DE) 2011-03-03 US claimed
US-20100234396-A1 Tetrhydropyridoindole Derivatives ACTELION PHARMACEUTICALS LTD (CH) 2010-09-16 US claimed
CN-1930162-B Tetrahydropyridoindole derivatives ACTELION PHARMACEUTICALS LTD 2010-06-16 CN claimed
US-20100081708-A1 ANTICOAGULANT COMPOUNDS ENDOTIS PHARMA (FR) 2010-04-01 US claimed
EP-2074131-A2 ANTICOAGULANT COMPOUNDS Endotis Pharma (FR) 2009-07-01 EP claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
US-4918056-A ANTITUMOR AGENTS HEALTH RESEARCH, INC. (ROSWELL PARK DIVISION) (US) 1990-04-17 US claimed
EP-0187052-B1 ADAMANTAN AMINE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM S.A. PANMEDICA Société dite: (FR) 1990-01-31 EP claimed
US-4661512-A Adamantanamine derivatives, processes for their preparation and drugs in which they are present S. A. PANMEDICA (FR) 1987-04-28 US claimed
EP-0187052-A1 Adamantan amine derivatives, process for their preparation and medicines containing them S.A. PANMEDICA Société dite: (FR) 1986-07-09 EP claimed
EP-0030299-B1 STEROID ESTERS OF METHYLATED PROSTAGLANDIN DERIVATIVES AND THEIR PHARMACEUTICAL COMPOSITIONS KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1985-01-16 EP claimed
US-4321366-A Process of preparing 2-azido-2-deoxyarabinofuranosyl halides RESEARCH CORPORATION (US) 1982-03-23 US claimed
US-4318908-A Methylated prostaglandin derivatives KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1982-03-09 US claimed
EP-0030299-A1 Steroid esters of methylated prostaglandin derivatives and their pharmaceutical compositions KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1981-06-17 EP claimed
US-4230698-A ANTITUMOR AGENTS, VIRICIDES, AND MICROBIOCIDES RESEARCH CORPORATION (US) 1980-10-28 US claimed