SCHEMBL5554979

SCHEMBL5554979

CCOOC(=O)C(C#N)=CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.40
ALDH1A1 P00352 7/20 0.38
TSHR P16473 1/20 0.38
MIF P14174 1/20 0.35
KDM4E B2RXH2 4/20 0.33
MAPT P10636 4/20 0.33
POLB P06746 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
PTP4A1 Q93096 1/20 0.33
KMT2A Q03164 3/20 0.32
MEN1 O00255 2/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
GAA P10253 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
LMNA P02545 1/20 0.32
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 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
SCHEMBL10405942 0.83 CYP2C9 (0.46) CYP2C9ALDH1A1TSHRMIFKDM4E
SCHEMBL23835988 0.82 CYP2C9 (0.59) CYP2C9ALDH1A1TSHRMIFKDM4E
SCHEMBL1127029 0.82 CYP2C9 (0.59) CYP2C9ALDH1A1TSHRMIFKDM4E
SCHEMBL1127030 0.82 CYP2C9 (0.59) CYP2C9ALDH1A1TSHRMIFKDM4E
SCHEMBL667302 0.80 CYP2C9 (0.33) CYP2C9ALDH1A1PTP4A1
SCHEMBL668298 0.79 CYP2C9 (0.42) CYP2C9ALDH1A1TSHRMIFKDM4E
SCHEMBL29045740 0.76 CYP2C9 (0.40) CYP2C9ALDH1A1TSHRMIFKDM4E
SCHEMBL23836013 0.76 CYP2C9 (0.44) CYP2C9ALDH1A1TSHRMIFKDM4E
SCHEMBL23835986 0.76 ADORA2A (0.40) CYP2C9ALDH1A1TSHRKDM4EMAPT
SCHEMBL3111041 0.76 ADORA2A (0.40) CYP2C9ALDH1A1TSHRKDM4EMAPT

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 23 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
CN-113874459-B Flexible photocurable cyanoacrylate compositions 汉高股份有限及两合公司 2023-07-04 CN disclosed
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-20150232690-A1 OPTICALLY TRANSPARENT, SUPERHYDROPHOBIC, BIOCOMPATIBLE THIN FILM COATINGS AND METHODS FOR PRODUCING SAME UT-BATTELLE, LLC (US) 2015-08-20 US disclosed
WO-2014189938-A1 CYANOACRYLATE COMPOSITIONS Henkel US IP LLC (US) 2014-11-27 WO disclosed
EP-1360257-B1 CYANOACRYLATE COMPOSITIONS CURABLE TO FLEXIBLE POLYMERIC MATERIALS LOCTITE R & D LTD (IE) 2007-07-25 EP 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