SCHEMBL6657985

SCHEMBL6657985

C=C(COC1CCCCC1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.35
NPC1 O15118 1/20 0.34
CYP2C19 P33261 1/20 0.33
PTGDR2 Q9Y5Y4 1/20 0.33
NAAA Q02083 2/20 0.33
ATF4 P18848 1/20 0.32
THRA P10827 2/20 0.32
THRB P10828 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL1899578 0.82 EPHX1 (0.34) EPHX1NPC1CYP2C19NAAAATF4
SCHEMBL465987 0.81 NPC1 (0.40) EPHX1NPC1CYP2C19NAAATHRA
SCHEMBL824140 0.79 EPHX1 (0.40) EPHX1NPC1CYP2C19NAAAATF4
SCHEMBL1734827 0.79 THRA (0.42) EPHX1NPC1CYP2C19PTGDR2NAAA
SCHEMBL27451178 0.79 THRA (0.42) EPHX1NPC1CYP2C19PTGDR2NAAA
SCHEMBL24564741 0.79 THRA (0.42) EPHX1NPC1CYP2C19PTGDR2NAAA
SCHEMBL9132526 0.79 THRA (0.42) EPHX1NPC1CYP2C19PTGDR2NAAA
SCHEMBL15159536 0.79 THRA (0.42) EPHX1NPC1CYP2C19PTGDR2NAAA
SCHEMBL16204628 0.79 THRA (0.42) EPHX1NPC1CYP2C19PTGDR2NAAA
Bicarbonate SCHEMBL13570853 0.78 EPHX1 (0.39) EPHX1NPC1CYP2C19NAAAATF4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3302776-B1 REACTION PRODUCTS CONTAINING URETHANE GROUPS BYK CHEMIE GMBH (DE) 2020-12-23 EP disclosed
EP-3320011-B1 POLYURETHANE-POLYUREA BYK CHEMIE GMBH (DE) 2019-09-25 EP disclosed
EP-3303439-B1 REACTION PRODUCTS CONTAINING AMIDO AMINE GROUP BYK CHEMIE GMBH (DE) 2019-05-01 EP disclosed
EP-3320011-A1 REACTION PRODUCTS CONTAINING URETHANE GROUPS AND UREA GROUPS BYK-Chemie GmbH (DE) 2018-05-16 EP disclosed
EP-3302776-A1 URETHANE-GROUP-CONTAINING REACTION PRODUCTS BYK-Chemie GmbH (DE) 2018-04-11 EP disclosed
EP-3303439-A1 REACTION PRODUCTS CONTAINING AMIDOAMINE GROUPS BYK-Chemie GmbH (DE) 2018-04-11 EP disclosed
EP-3074449-B1 ADDITIONAL POLYAMINE COMPOUNDS BYK CHEMIE GMBH (DE) 2017-06-14 EP disclosed
WO-2017005924-A1 REACTION PRODUCTS CONTAINING URETHANE GROUPS AND UREA GROUPS BYK-CHEMIE GMBH (DE) 2017-01-12 WO disclosed
WO-2016193474-A1 REACTION PRODUCTS CONTAINING AMIDOAMINE GROUPS BYK-CHEMIE GMBH (DE) 2016-12-08 WO disclosed
WO-2016193473-A1 URETHANE-GROUP-CONTAINING REACTION PRODUCTS BYK-CHEMIE GMBH (DE) 2016-12-08 WO disclosed
EP-3074449-A1 POLYAMINE ADDITION COMPOUNDS BYK-Chemie GmbH (DE) 2016-10-05 EP disclosed
WO-2015079033-A1 POLYAMINE ADDITION COMPOUNDS BYK-CHEMIE GMBH (DE) 2015-06-04 WO disclosed
EP-1427763-A1 METHOD FOR THE PRODUCTION OF POLYMERS AND COPOLYMERS FROM ACRYLIC COMPOUNDS Röhm GmbH & Co. KG (DE) 2004-06-16 EP disclosed
US-6710150-B2 SOLUBILITY IN ALKALINE AQUEOUS SOLUTION IN THE PRESENCE OF A PROTON; FOR USE IN PHOTOLITHOGRAPHY NIPPON SHOKUBAI CO., LTD. (JP) 2004-03-23 US disclosed
WO-2003048176-A1 CATALYST FOR PRODUCING (CO)POLYMERS OF (METH)ACRYLIC COMPOUNDS Röhm GmbH & Co. KG (DE) 2003-06-12 WO disclosed
WO-2003022897-A1 METHOD FOR THE PRODUCTION OF POLYMERS AND COPOLYMERS FROM ACRYLIC COMPOUNDS Röhm GmbH & Co. KG (DE) 2003-03-20 WO disclosed
US-20020099147-A1 Solubility in alkaline aqueous solution in the presence of a proton; for use in photolithography NIPPON SHOKUBAI CO., LTD 2002-07-25 US disclosed