SCHEMBL793890

SCHEMBL793890

C=CC(C)(C)C(CCCCCCCCCCCC)(C(=O)[O-])[N+](C)(C)C

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.35
CES2 O00748 4/20 0.34
CA2 P00918 1/20 0.34
FABP3 P05413 4/20 0.33
CES1 P23141 3/20 0.33
ZDHHC20 Q5W0Z9 1/20 0.33
ZDHHC2 Q9UIJ5 1/20 0.33
GMNN O75496 1/20 0.33
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
APEX1 P27695 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
BLM P54132 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL14801394 0.80 FDPS (0.39) CES2CA2CES1
SCHEMBL332249 0.80 FDPS (0.39) CES2CA2CES1
SCHEMBL5073914 0.80 FDPS (0.39) CES2CA2CES1
SCHEMBL1833476 0.80 FDPS (0.39) CES2CA2CES1
SCHEMBL5051960 0.79 CES2 (0.37) CES2CA2CES1
SCHEMBL5180083 0.79 CES2 (0.37) CES2CA2CES1
Hydrochloric Acid SCHEMBL17004780 0.78 CA2 (0.40) CES2CA2CES1
SCHEMBL4609450 0.78 CES2 (0.36) CES2CA2FABP3CES1HSD17B10
SCHEMBL4611396 0.78 CES2 (0.36) CES2CA2FABP3CES1HSD17B10
SCHEMBL4902282 0.75 CES2 (0.34) CES2CA2FABP3CES1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240066436-A1 BIOBASED DEFOAMER COMPOSITIONS AND METHODS OF PREPARATION THEREOF KRATON CHEMICAL, LLC (US) 2024-02-29 US disclosed
US-20240057589-A1 EFFERVESCENT SOLID DOSAGE FORM COMPOSITIONS CONTAINING ENVIRONMENTALLY SAFER ANTI-MICROBIAL COMPONENTS CHEMLINK LABORATORIES, LLC 2024-02-22 US disclosed
US-20230416557-A1 ANTIFOG COMPOSITIONS AND ARTICLES MADE THEREOF Kraton Corporation (US) 2023-12-28 US disclosed
WO-2023229962-A1 PROCESS FOR REMOVING WATER FROM A FUNCTIONAL INGREDIENT COMPOSITION, AND COMPOSITIONS CONTAINING THE RESULTING PRODUCT CHEMLINK LABORATORIES, LLC (US) 2023-11-30 WO disclosed
EP-4246236-A1 PROCESS CARTRIDGE AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2023-09-20 EP disclosed
US-20230288826-A1 PROCESS CARTRIDGE AND ELECTROPHOTOGRAPHIC APPARATUS CANON KABUSHIKI KAISHA (JP) 2023-09-14 US disclosed
EP-4147762-A1 BIOBASED DEFOAMER COMPOSITIONS AND METHODS OF PREPARATION THEREOF Kraton Chemical, LLC (US) 2023-03-15 EP disclosed
WO-2022230638-A1 ELECTROPHOTOGRAPHIC MEMBER, METHOD FOR PRODUCING SAME, PROCESS CARTRIDGE, AND ELECTROPHOTOGRAPHIC IMAGE-FORMING DEVICE キヤノン株式会社 2022-11-03 WO disclosed
WO-2022146771-A1 EFFERVESCENT SOLID DOSAGE FORM COMPOSITIONS CONTAINING ENVIRONMENTALLY SAFER ANTI-MICROBIAL COMPONENTS CHEMLINK LABORATORIES, LLC (US) 2022-07-07 WO disclosed
US-10295917-B2 Electrophotographic roller, production method therefor, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2019-05-21 US disclosed
EP-1457533-B1 INK, METHOD OF INK-JET RECORDING WITH THE SAME, INK CARTRIDGE, RECORDING UNIT, AND INK-JET RECORDING APPARATUS RICOH KK (JP) 2006-02-15 EP disclosed
US-20050168552-A1 Ink for ink jet recording, ink jet recording method, ink cartridge and ink jet recording apparatus ARITA HITOSHI (JP) 2005-08-04 US disclosed
US-6899751-B2 Ink for ink jet recording, ink jet recording method, ink cartridge and ink jet recording apparatus RICOH COMPANY, LTD. (JP) 2005-05-31 US disclosed
US-20050007433-A1 Ink, method of ink-jet recording with the same, ink cartridge, recording unit, and ink-jet recording apparatus RICOH COMPANY, LTD. (JP) 2005-01-13 US disclosed
US-6799845-B2 INK JET INK, PERMEABILITY AND DRYING PROPERTIES RICOH COMPANY, LTD. (JP) 2004-10-05 US disclosed
EP-1457533-A1 INK, METHOD OF INK-JET RECORDING WITH THE SAME, INK CARTRIDGE, RECORDING UNIT, AND INK-JET RECORDING APPARATUS Ricoh Company, Ltd. (JP) 2004-09-15 EP disclosed
EP-1213331-B1 Recording liquid, recording cartridge, recording method, recording apparatus and recording medium RICOH KK (JP) 2004-04-28 EP disclosed
US-20030079647-A1 Recording liquid, recording cartridge, recording method, recording apparatus and recording medium RICOH COMPANY, LTD. (JP) 2003-05-01 US disclosed
US-20020083866-A1 Ink for ink jet recording, ink jet recording method, ink cartridge and ink jet recording apparatus RICOH COMPANY, LTD. (JP) 2002-07-04 US disclosed
EP-1213331-A1 Recording liquid, recording cartridge, recording method, recording apparatus and recording medium Ricoh Company, Ltd. (JP) 2002-06-12 EP disclosed