SCHEMBL1109923

SCHEMBL1109923

[C]#CC1=CCCCC1

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
SCHEMBL6259313 0.92
SCHEMBL262534 0.74
SCHEMBL6258862 0.74
SCHEMBL313750 0.74
SCHEMBL153189 0.74
SCHEMBL150206 0.72
SCHEMBL19280743 0.72 CYP1A2 (0.39)
SCHEMBL8197417 0.72 CYP1A2 (0.39)
SCHEMBL18828533 0.72 CYP1A2 (0.39)
SCHEMBL10457078 0.72 CYP1A2 (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7202235-B2 Tetracycline compounds for treatment of cryptosporidium parvum related disorders TRUSTEES OF TUFTS COLLEGE (US) 2007-04-10 US claimed
US-20050215532-A1 Tetracycline compounds for treatment of cryptosporidium parvum related disorders TRUSTEES OF TUFTS COLLEGE (US) 2005-09-29 US claimed
EP-1263442-A1 TETRACYCLINE COMPOUNDS FOR TREATMENT OF i CRYPTOSPORIDIUM PARVUM /i RELATED DISORDERS TRUSTEES OF TUFTS COLLEGE (US) 2002-12-11 EP claimed
US-20020115644-A1 Tetracycline compounds for treatment of Cryptosporidium parvum related disorders PARATEK PHARMACEUTICALS, INC. 2002-08-22 US claimed
WO-2001052858-A1 TETRACYCLINE COMPOUNDS FOR TREATMENT OF CRYPTOSPORIDIUM PARVUM RELATED DISORDERS TRUSTEES OF TUFTS COLLEGE (US) 2001-07-26 WO claimed
US-8563526-B2 Triazole derivatives, their preparation and their application in therapeutics INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 2013-10-22 US disclosed
US-8466176-B2 Fungicide hydroximoyl-tetrazole derivatives BAYER CROPSCIENCE AG (DE) 2013-06-18 US disclosed
US-20110136754-A1 NOVEL TRIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS Institut National De La Sante Et La Recherche Medicale (INSERM) 2011-06-09 US disclosed
US-20110105566-A1 FUNGICIDE HYDROXIMOYL-TETRAZOLE DERIVATIVES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2011-05-05 US disclosed
EP-2279193-A1 NOVEL TRIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS Inserm Transfert (FR) 2011-02-02 EP disclosed
WO-2009133147-A1 NOVEL TRIAZOLE DERIVATIVES, THEIR PREPARATION AND THEIR APPLICATION IN THERAPEUTICS INSERM TRANSFERT (FR) 2009-11-05 WO disclosed
EP-2113508-A1 Novel triazole nucleoside derivatives, their preparation and their application in therapeutics INSERM (Institut National de la Santé et de la Recherche Medicale) (FR) 2009-11-04 EP disclosed
EP-0778821-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1997-06-18 EP disclosed
EP-0773930-A1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LIMITED (GB) 1997-05-21 EP disclosed
EP-0752421-A1 Ortho-substituted aromatic compounds, containing three (het)aryl moieties, their preparation and their use as prostaglandin E2-(PGE2)-antagonists ZENECA LIMITED (GB) 1997-01-08 EP disclosed
EP-0733033-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-09-25 EP disclosed
WO-1996011902-A1 PHARMACEUTICALLY ACTIVE SUBSTITUTED AROMATIC COMPOUNDS ZENECA LIMITED (GB) 1996-04-25 WO disclosed
WO-1996006822-A1 ORTHO-SUBSTITUTED AROMATIC ETHER COMPOUNDS AND THEIR USE IN PHARMACEUTICAL COMPOSITIONS FOR PAIN RELIEF ZENECA LIMITED (GB) 1996-03-07 WO disclosed
WO-1996003380-A1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LIMITED (GB) 1996-02-08 WO disclosed
US-5147645-A Insecticides, miticides, nematocides BASF AKTIENGESELLSCHAFT (DE) 1992-09-15 US disclosed