SCHEMBL3875210

SCHEMBL3875210

CC1(C)CCC(C(=O)O)(C(=O)O)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 1/20 0.48
APLNR P35414 1/20 0.36
MAPK1 P28482 2/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 1/20 0.32
STAT6 P42226 1/20 0.32
HIF1A Q16665 1/20 0.32
NPC1 O15118 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
CYP2D6 P10635 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
SCHEMBL27966019 0.85 FFAR3 (0.40) FFAR3APLNRNPC1
SCHEMBL106415 0.84
SCHEMBL8641820 0.84 FFAR3 (0.44) FFAR3CYP2C19CYP2D6
SCHEMBL6757042 0.81 FFAR3 (0.42) FFAR3CYP2C19CYP2D6
Bromide SCHEMBL16086192 0.81 FFAR3 (0.42) FFAR3CYP2C19CYP2D6
SCHEMBL28942171 0.81 FFAR3 (0.42) FFAR3CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL808921 0.81 FFAR3 (0.42) FFAR3CYP2C19CYP2D6
Hydrochloric Acid SCHEMBL4373671 0.81 FFAR3 (0.42) FFAR3CYP2C19CYP2D6
Bicarbonate SCHEMBL2900014 0.77
SCHEMBL4867997 0.77 FFAR3 (0.82) FFAR3APLNRMAPK1TP53NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1395858-A2 MULTILAYER BIREFRINGENT FILM FOR POLARIZING BEAM SPLITTER 3M Innovative Properties Company (US) 2004-03-10 EP claimed
EP-1325055-A2 PROCESS FOR PRODUCING POLY(1,4-CYCLOHEXYLENEDIMETHYLENE 1,4-CYCLOHEXANEDICARBOXYLATE) AND THE REACTOR GRADE POLYESTER THEREFROM EASTMAN CHEMICAL COMPANY (US) 2003-07-09 EP claimed
WO-2002101427-A2 MULTILAYER BIREFRINGENT FILM FOR POLARIZING BEAM SPLITTER 3M INNOVATIVE PROPERTIES COMPANY (US) 2002-12-19 WO claimed
WO-2002031020-A2 PROCESS FOR PRODUCING POLY(1,4-CYCLOHEXYLENEDIMETHYLENE 1,4-CYCLOHEXANEDICARBOXYLATE) AND THE REACTOR GRADE POLYESTER THEREFROM EASTMAN CHEMICAL COMPANY (US) 2002-04-18 WO claimed
EP-4355806-A1 POLYESTER/POLYESTER ELASTOMER COMPOSITIONS Eastman Chemical Company (US) 2024-04-24 EP disclosed
WO-2022266284-A1 POLYESTER/POLYESTER ELASTOMER COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 2022-12-22 WO disclosed
EP-4061868-A1 COPOLYESTERS FOR USE IN LOW SHEAR MELT APPLICATIONS Eastman Chemical Company (US) 2022-09-28 EP disclosed
US-11427675-B2 Copolyesters for use in low shear melt applications EASTMAN CHEMICAL COMPANY (US) 2022-08-30 US disclosed
EP-1786377-B1 FLEXIBLE MULTI-CHAMBER CONTAINER FOR THE PREPARATION OF MEDICAL MIXED SOLUTIONS FRESENIUS KABI DE GMBH (DE) 2009-09-09 EP disclosed
US-7332485-B2 Peptide deformylase inhibitors SMITHKLINE BEECHAM CORP (US) 2008-02-19 US disclosed
EP-1786377-A1 FLEXIBLE MULTI-CHAMBER CONTAINER FOR THE PREPARATION OF MEDICAL MIXED SOLUTIONS Fresenius Kabi Deutschland GmbH (DE) 2007-05-23 EP disclosed
EP-1773277-A1 MEDICAL CONTAINER WITH IMPROVED PEELABLE SEAL Fresenius Kabi Deutschland GmbH (DE) 2007-04-18 EP disclosed
EP-1621178-A1 Flexible multi-chamber container for the preparation of medical mixed solutions Fresenius Kabi Deutschland GmbH (DE) 2006-02-01 EP disclosed
WO-2005005456-A2 PEPTIDE DEFORMYLASE INHIBITORS GLAXO GROUP LIMITED (GB) 2005-01-20 WO disclosed
EP-1325055-A2 PROCESS FOR PRODUCING POLY(1,4-CYCLOHEXYLENEDIMETHYLENE 1,4-CYCLOHEXANEDICARBOXYLATE) AND THE REACTOR GRADE POLYESTER THEREFROM EASTMAN CHEMICAL COMPANY (US) 2003-07-09 EP disclosed
WO-2002031020-A2 PROCESS FOR PRODUCING POLY(1,4-CYCLOHEXYLENEDIMETHYLENE 1,4-CYCLOHEXANEDICARBOXYLATE) AND THE REACTOR GRADE POLYESTER THEREFROM EASTMAN CHEMICAL COMPANY (US) 2002-04-18 WO disclosed
EP-0904234-A1 IMPROVED MEDICAL CONTAINERS Pharmacia & Upjohn Aktiebolag (SE) 1999-03-31 EP disclosed
EP-0893982-A1 IMPROVED CONTAINERS FOR PARENTERAL FLUIDS Pharmacia & Upjohn Aktiebolag (SE) 1999-02-03 EP disclosed
WO-1997039952-A1 IMPROVED MEDICAL CONTAINERS PHARMACIA & UPJOHN AB (SE) 1997-10-30 WO disclosed
WO-1997037628-A1 IMPROVED CONTAINERS FOR PARENTERAL FLUIDS PHARMACIA & UPJOHN AB (SE) 1997-10-16 WO disclosed