SCHEMBL1758795

SCHEMBL1758795

CCCCN(CC(F)(F)F)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.45
CA1 P00915 3/20 0.45
CA9 Q16790 3/20 0.45
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP8 P22894 1/20 0.42
FAAH O00519 9/20 0.41
ALDH1A1 P00352 1/20 0.41
ALDH2 P05091 1/20 0.41
CES1 P23141 7/20 0.39
CES2 O00748 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
CA2 P00918 1/20 0.34

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
SCHEMBL15225307 0.92 FAAH (0.46) CA12CA1CA9FAAHCES1
SCHEMBL15224778 0.92 FAAH (0.46) CA12CA1CA9FAAHCES1
SCHEMBL15224878 0.92 FAAH (0.46) CA12CA1CA9FAAHCES1
SCHEMBL1758831 0.92 FAAH (0.46) CA12CA1CA9FAAHCES1
SCHEMBL1768632 0.85 FAAH (0.32) FAAHCES1CES2MEN1CYP1A2
SCHEMBL15225046 0.85 CA12 (0.42) CA12CA1CA9MMP1MMP2
SCHEMBL15426402 0.84 CA12 (0.45) CA12CA1CA9MMP1MMP2
SCHEMBL15225324 0.83 CA12 (0.41) CA12CA1CA9MMP1MMP2
SCHEMBL15225244 0.82 CA12 (0.40) CA12CA1CA9MMP1MMP2
SCHEMBL1759006 0.82 CA12 (0.40) CA12CA1CA9MMP1MMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889322-B2 Photopolymer formulation having different writing comonomers BAYER MATERIALSCIENCE AG (DE) 2014-11-18 US disclosed
EP-2497084-B1 Selection method for additives in photopolymers BAYER IP GMBH (DE) 2013-12-25 EP disclosed
EP-2497082-B1 Fluorurethane as additive in a photopolymer formulation BAYER IP GMBH (DE) 2013-09-04 EP disclosed
US-20120231377-A1 PHOTOPOLYMER FORMULATION HAVING DIFFERENT WRITING COMONOMERS COVESTRO DEUTSCHLAND AG (DE) 2012-09-13 US disclosed
EP-2497084-A1 SELECTION METHOD FOR ADDITIVES IN PHOTOPOLYMERS Bayer MaterialScience AG (DE) 2012-09-12 EP disclosed
EP-2497083-A1 PHOTOPOLYMER FORMULATION HAVING DIFFERENT WRITING COMONOMERS Bayer MaterialScience AG (DE) 2012-09-12 EP disclosed
WO-2011054797-A1 PHOTOPOLYMER FORMULATION HAVING DIFFERENT WRITING COMONOMERS BAYER MATERIALSCIENCE AG (DE) 2011-05-12 WO disclosed
WO-2011054796-A1 SELECTION METHOD FOR ADDITIVES IN PHOTOPOLYMERS BAYER MATERIALSCIENCE AG (DE) 2011-05-12 WO disclosed