SCHEMBL2935618

SCHEMBL2935618

C=C(CC(=O)O)CC(=O)OC(=O)CC(=C)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.40
SRR Q9GZT4 1/20 0.40
ALOX15 P16050 1/20 0.34
HSD17B10 Q99714 1/20 0.34
FFAR3 O14843 1/20 0.32
TSHR P16473 1/20 0.31
ALDH1A1 P00352 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
SCHEMBL377180 0.83 LDHA (0.57) LDHASRRALOX15HSD17B10FFAR3
SCHEMBL2148244 0.80 EGLN1 (0.43) TSHRALDH1A1
SCHEMBL819956 0.80 LDHA (0.53) LDHASRRHSD17B10FFAR3TSHR
SCHEMBL27705697 0.77 LDHA (0.50) LDHASRRHSD17B10FFAR3TSHR
SCHEMBL10391174 0.77 LDHA (0.50) LDHASRRHSD17B10FFAR3TSHR
SCHEMBL27987704 0.77 LDHA (0.50) LDHASRRHSD17B10FFAR3TSHR
SCHEMBL28109626 0.75 LDHA (0.47) LDHASRRFFAR3TSHRALDH1A1
SCHEMBL28003714 0.75 LDHA (0.47) LDHASRRFFAR3TSHRALDH1A1
SCHEMBL812816 0.72 ALDH1A1 (0.46) LDHASRRFFAR3TSHRALDH1A1
SCHEMBL122476 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1582346-B1 Infrared absorbing compounds and their use in imageable elements EASTMAN KODAK CO (US) 2010-09-22 EP disclosed
US-7049046-B2 Infrared absorbing compounds and their use in imageable elements EASTMAN KODAK COMPANY (US) 2006-05-23 US disclosed
US-20050221215-A1 Infrared absorbing compounds and their use in imageable elements CITICORP NORTH AMERICA, INC., AS AGENT 2005-10-06 US disclosed
EP-1582346-A2 Infrared absorbing compounds and their use in imageable elements Kodak Polychrome Graphics, LLC (US) 2005-10-05 EP disclosed