SCHEMBL1274501

SCHEMBL1274501

CCC/C(C#N)=C(\OCC)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
TSHR P16473 1/20 0.40
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 5/20 0.34
MEN1 O00255 4/20 0.34
MAPT P10636 4/20 0.34
KDM4E B2RXH2 1/20 0.34
FFAR3 O14843 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 3/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
NPC1 O15118 2/20 0.31
USP2 O75604 2/20 0.31
RAB9A P51151 2/20 0.31
NPSR1 Q6W5P4 2/20 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
SCHEMBL21525695 0.89 ALDH1A1 (0.38) ALDH1A1TSHRCYP2C9KMT2AMEN1
SCHEMBL1275351 0.87 HCAR2 (0.35) ALDH1A1TSHRFFAR3HDAC3HDAC1
SCHEMBL21525693 0.86 GPR84 (0.41) ALDH1A1TSHRKMT2AMEN1HSD17B10
SCHEMBL1275393 0.85 ALDH1A1 (0.42) ALDH1A1TSHRCYP2C9KMT2AMEN1
SCHEMBL1275100 0.84 ALDH1A1 (0.41) ALDH1A1TSHRCYP2C9LMNASMN1; SMN2
SCHEMBL1275316 0.83 HDAC3 (0.34) ALDH1A1TSHRFFAR3HDAC3HDAC1
SCHEMBL1274740 0.77 ALDH1A1 (0.41) ALDH1A1TSHRCYP2C9LMNASMN1; SMN2
SCHEMBL1275385 0.74 HCAR2 (0.36) ALDH1A1TSHRLMNAHCAR2
SCHEMBL1274509 0.73 CES1 (0.36) ALDH1A1TSHRKMT2AMEN1HSD17B10
SCHEMBL7174082 0.72 ALDH1A1 (0.39) ALDH1A1TSHRFFAR3HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9752049-B2 Optically transparent, superhydrophobic, biocompatible thin film coatings and methods for producing same UT-BATTELLE, LLC (US) 2017-09-05 US claimed
US-20150232690-A1 OPTICALLY TRANSPARENT, SUPERHYDROPHOBIC, BIOCOMPATIBLE THIN FILM COATINGS AND METHODS FOR PRODUCING SAME UT-BATTELLE, LLC (US) 2015-08-20 US claimed
EP-1360257-B1 CYANOACRYLATE COMPOSITIONS CURABLE TO FLEXIBLE POLYMERIC MATERIALS LOCTITE R & D LTD (IE) 2007-07-25 EP claimed
US-6977278-B1 Cyanoacrylate compositions curable to flexible polymeric materials LOCTITE (R&D) LTD. (IE) 2005-12-20 US claimed
WO-2004024467-A2 SURFACE-MOUNTING SYSTEM LOCTITE (R & D) LIMITED (IE) 2004-03-25 WO claimed
EP-1360257-A1 CYANOACRYLATE COMPOSITIONS CURABLE TO FLEXIBLE POLYMERIC MATERIALS Loctite (R & D) Limited (IE) 2003-11-12 EP claimed
WO-2002053666-A1 CYANOACRYLATE COMPOSITIONS CURABLE TO FLEXIBLE POLYMERIC MATERIALS LOCTITE (R & D) LIMITED (IE) 2002-07-11 WO claimed
EP-3947586-A1 FLEXIBLE PHOTOCURABLE CYANOACRYLATE COMPOSITIONS Henkel IP & Holding GmbH (DE) 2022-02-09 EP disclosed
US-20220033544-A1 FLEXIBLE PHOTOCURABLE CYANOACRYLATE COMPOSITIONS HENKEL AG & CO. KGAA (DE) 2022-02-03 US disclosed
WO-2020206405-A1 FLEXIBLE PHOTOCURABLE CYANOACRYLATE COMPOSITIONS Henkel IP & Holding GmbH (DE) 2020-10-08 WO disclosed
EP-2999689-B1 CYANOACRYLATE COMPOSITIONS Henkel IP & Holding GmbH (DE) 2017-10-04 EP disclosed
US-9752049-B2 Optically transparent, superhydrophobic, biocompatible thin film coatings and methods for producing same UT-BATTELLE, LLC (US) 2017-09-05 US disclosed
US-9528034-B2 Cyanoacrylate compositions Henkel IP & Holding GmbH (DE) 2016-12-27 US disclosed
EP-1360257-B1 CYANOACRYLATE COMPOSITIONS CURABLE TO FLEXIBLE POLYMERIC MATERIALS LOCTITE R & D LTD (IE) 2007-07-25 EP disclosed
WO-2007054113-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2007-05-18 WO disclosed
WO-2007054112-A1 ADHESIVES, SEALANTS AND COATINGS CONTAINING GLASS PARTICLES AS A FILLER HENKEL AG & CO. KGAA (DE) 2007-05-18 WO disclosed
US-6977278-B1 Cyanoacrylate compositions curable to flexible polymeric materials LOCTITE (R&D) LTD. (IE) 2005-12-20 US disclosed
WO-2004024467-A2 SURFACE-MOUNTING SYSTEM LOCTITE (R & D) LIMITED (IE) 2004-03-25 WO disclosed
EP-1360257-A1 CYANOACRYLATE COMPOSITIONS CURABLE TO FLEXIBLE POLYMERIC MATERIALS Loctite (R & D) Limited (IE) 2003-11-12 EP disclosed
WO-2002053666-A1 CYANOACRYLATE COMPOSITIONS CURABLE TO FLEXIBLE POLYMERIC MATERIALS LOCTITE (R & D) LIMITED (IE) 2002-07-11 WO disclosed