SCHEMBL4733343

SCHEMBL4733343

CC=C1CCC(C)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
SCHEMBL13900912 0.74
SCHEMBL8743950 0.74
SCHEMBL35306 0.73
SCHEMBL6899229 0.73
SCHEMBL7980901 0.72 ALDH1A1 (0.31)
SCHEMBL8002073 0.70 NOS3 (0.34)
SCHEMBL21078018 0.70 DRD2 (0.30)
SCHEMBL14031096 0.70 NOS3 (0.33)
SCHEMBL24906557 0.69 HK2 (0.33)
SCHEMBL8676085 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105505615-A Environment-friendly automobile cleaning agent TIANJIN PUYU ENV PROT TECH DEV CO LTD 2016-04-20 CN claimed
CN-103320239-B Methylisothiazolinone stabilizing system for liquid detergent GUANGZHOU LIBY ENTPR CO LTD 2014-12-24 CN claimed
CN-103320239-A Methylisothiazolinone stabilizing system for liquid detergent GUANGZHOU LIBY ENTPR CO LTD 2013-09-25 CN claimed
CN-101316922-B Stable odorant systems THE PROCTER & GAMBLE CO. (US) 2011-12-14 CN claimed
CN-105531267-A Cyclohexadiene fullerene derivatives MERCK PATENT GMBH 2016-04-27 CN disclosed
CN-105505615-A Environment-friendly automobile cleaning agent TIANJIN PUYU ENV PROT TECH DEV CO LTD 2016-04-20 CN disclosed
CN-105339492-A Polypeptides having lipase activity and polynucleotides encoding same NOVOZYMES AS 2016-02-17 CN disclosed
CN-105324460-A Conjugated polymers MERCK PATENT GMBH 2016-02-10 CN disclosed
CN-105209612-A Detergent composition NOVOZYMES AS 2015-12-30 CN disclosed
CN-105051174-A Polypeptides having lipase activity and polynucleotides encoding same NOVOZYMES AS 2015-11-11 CN disclosed
CN-105017179-A Catalytic synthesis method for limonene-1,2-epoxide UNIV HUAZHONG AGRICULTURAL 2015-11-04 CN disclosed
CN-103073404-B Method for by-producing dipentene in preparation process of ambergris ketone HUAIAN WANBANG AROMATIC CHEMICALS INDUSTRY CO LTD 2015-05-20 CN disclosed
US-5550161-A COMPOUNDS WHICH CHELATE IRON AND ALUMINUM IONS; TREATMENT OF VARIOUS ANEMIAS, HEMOSIDEROSIS, ALZHEIMER*S DISEASE ORAL-D (US) 1996-08-27 US disclosed
WO-1992020227-A1 SUBSTITUTED ORALLY EFFECTIVE ION CHELATORS RELATED TO DEFEROXAMINE ORAL-D (US) 1992-11-26 WO disclosed
US-5047421-A Treating trivalent metal overload conditions in humans ORAL-D (US) 1991-09-10 US disclosed
US-5015664-A Orally effective ion chelators related to deferoxamine ORAL D (US) 1991-05-14 US disclosed
US-4684482-A DEFEROXAMINE DERIVATIVES ORAL-D (L.P.) (US) 1987-08-04 US disclosed
US-4671901-A DIFEROXAMINE DERIVATIVES FOR REDUCTION OF METAL ION TUSSUE OV ERLOAD ORAL-D (US) 1987-06-09 US disclosed
EP-0171414-A1 ORALLY EFFECTIVE ION CHELATORS RELATED TO DEFEROXAMINE. ORAL D (US) 1986-02-19 EP disclosed
WO-1985003290-A1 ORALLY EFFECTIVE ION CHELATORS RELATED TO DEFEROXAMINE ORAL-D (US) 1985-08-01 WO disclosed