SCHEMBL638743

SCHEMBL638743

CCC(=O)C(C)C(C)O

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
SCHEMBL18416515 0.79
SCHEMBL269873 0.79
SCHEMBL13176565 0.78 TDP1 (0.32)
SCHEMBL13587629 0.78 TSHR (0.38)
SCHEMBL4377302 0.78 TSHR (0.38)
SCHEMBL14322405 0.78 TDP1 (0.32)
SCHEMBL4382401 0.78 TSHR (0.38)
SCHEMBL13587627 0.78 TSHR (0.38)
SCHEMBL1486226 0.78 TSHR (0.38)
SCHEMBL27393023 0.78

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100249166-A1 DIFFERENTIAL EVAPORATION POTENTIATED DISINFECTANT SYSTEM XY, INC. (US) 2010-09-30 US claimed
EP-2209381-A1 DIFFERENTIAL EVAPORATION POTENTIATED DISINFECTANT SYSTEM XY, LLC (US) 2010-07-28 EP claimed
WO-2009038672-A1 DIFFERENTIAL EVAPORATION POTENTIATED DISINFECTANT SYSTEM XY, INC. (US) 2009-03-26 WO claimed
US-20090076169-A1 Differential evaporation potentiated disinfectant system XY, INC. 2009-03-19 US claimed
WO-2020113209-A1 PANTETHEINE DERIVATIVES AND USES THEREOF COMET THERAPEUTICS, INC. (US) 2020-06-04 WO disclosed
EP-2209381-B1 DIFFERENTIAL EVAPORATION POTENTIATED DISINFECTANT SYSTEM XY LLC (US) 2017-08-30 EP disclosed
US-9474814-B2 Differential evaporation potentiated disinfectant system XY, LLC (US) 2016-10-25 US disclosed
US-20130309132-A1 Differential Evaporation Potentiated Disinfectant System XY, LLC (US) 2013-11-21 US disclosed
US-8119688-B2 Differential evaporation potentiated disinfectant system XY, LLC (US) 2012-02-21 US disclosed
US-20100249166-A1 DIFFERENTIAL EVAPORATION POTENTIATED DISINFECTANT SYSTEM XY, INC. (US) 2010-09-30 US disclosed
EP-2209381-A1 DIFFERENTIAL EVAPORATION POTENTIATED DISINFECTANT SYSTEM XY, LLC (US) 2010-07-28 EP disclosed
WO-2009038672-A1 DIFFERENTIAL EVAPORATION POTENTIATED DISINFECTANT SYSTEM XY, INC. (US) 2009-03-26 WO disclosed
US-20090076169-A1 Differential evaporation potentiated disinfectant system XY, INC. 2009-03-19 US disclosed
EP-0741120-B1 Polyalphaolefin dimers having low kinematic viscosities CHEVRON PHILLIPS CHEMICAL CO (US) 2003-03-26 EP disclosed
EP-0678493-B1 Controlled formation of olefin oligomers using boron trifluoride and a hydroxy carbonyl CHEVRON CHEM CO (US) 1998-12-30 EP disclosed
US-5817899-A BRANCHED OCTENE, DECENE AND TETRADECENE DIMERS CHEVRON CHEMICAL COMPANY (US) 1998-10-06 US disclosed
EP-0741120-A1 Polyalphaolefin dimers having low kinematic viscosities CHEVRON CHEMICAL COMPANY (US) 1996-11-06 EP disclosed
EP-0678493-A2 Controlled formation of olefin oligomers using boron trifluoride and a hydroxy carbonyl CHEVRON CHEMICAL COMPANY (US) 1995-10-25 EP disclosed
US-5420373-A USING BORON TRIFLUORIDE AND A HYDROXY CARBONYL PROMOTER CHEVRON CHEMICAL COMPANY (US) 1995-05-30 US disclosed
US-4188344-A Production of 4-(m,m'-ditert.-butyl-p-hydroxyphenyl)-butan-2-ones BASF AKTIENGESELLSCHAFT (DE) 1980-02-12 US disclosed