SCHEMBL5852483

SCHEMBL5852483

CCOCCOC([O])CCC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.42
GABRD O14764 2/20 0.42
GABRA1 P14867 2/20 0.42
GABRB1 P18505 2/20 0.42
GABRG2 P18507 2/20 0.42
GABRB3 P28472 2/20 0.42
GABRA5 P31644 2/20 0.42
GABRA3 P34903 2/20 0.42
GABRA2 P47869 2/20 0.42
GABRB2 P47870 2/20 0.42
GABRA4 P48169 2/20 0.42
GABRE P78334 2/20 0.42
GABRA6 Q16445 2/20 0.42
GABRG1 Q8N1C3 2/20 0.42
GABRG3 Q99928 2/20 0.42
GABRQ Q9UN88 2/20 0.42
ALDH1A1 P00352 2/20 0.41
TSHR P16473 1/20 0.41
CYP1A2 P05177 2/20 0.38
SELP P16109 1/20 0.36

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
SCHEMBL9731012 0.80 GABRP (0.38) GABRPGABRDGABRA1GABRB1GABRG2
Succinic Acid SCHEMBL4803598 0.79 ALDH1A1 (0.54) ALDH1A1TSHRTHRBFFAR3HDAC3
Succinic Acid SCHEMBL1234712 0.77 ALDH1A1 (0.52) ALDH1A1TSHRTHRBFFAR3HDAC3
SCHEMBL16908570 0.74 ALDH1A1 (0.50) ALDH1A1TSHRTHRBFFAR3HDAC3
SCHEMBL22445118 0.74 ALDH1A1 (0.50) ALDH1A1TSHRTHRBFFAR3HDAC3
SCHEMBL14770377 0.74 ALDH1A1 (0.50) ALDH1A1TSHRTHRBFFAR3HDAC3
SCHEMBL21087133 0.74 ALDH1A1 (0.50) ALDH1A1TSHRTHRBFFAR3HDAC3
SCHEMBL22445105 0.74 ALDH1A1 (0.50) ALDH1A1TSHRTHRBFFAR3HDAC3
SCHEMBL19382679 0.74 ALDH1A1 (0.50) ALDH1A1TSHRTHRBFFAR3HDAC3
Adipic Acid SCHEMBL11008725 0.74 AKR1B1 (0.56) ALDH1A1TSHR

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-RE39105-E1 Polymethine compounds, method of producing same, and use thereof YAMAMOTO CHEMICALS, INC. (JP) 2006-05-23 US disclosed
EP-1063231-B1 Polymethine compounds, method of producing the same, and use thereof YAMAMOTO CHEMICALS INC (JP) 2005-05-11 EP disclosed
EP-1006116-B1 Polymethine compounds, method of producing same, and use thereof YAMAMOTO CHEMICALS INC (JP) 2003-08-13 EP disclosed
US-20020051939-A1 Polymethine compound, a process for its production, and use of the compound YAMAMOTO CHEMICALS, INC. (JP) 2002-05-02 US disclosed
US-6342335-B1 NEAR INFRARED ABSORBING MATERIAL IN IMAGE RECORDING UTILIZING LASER BEAMS, FOR PRINTING PLATES, LASER HEAT-SENSITIVE RECORDING MEDIA; SPECTRAL SENSITIZATION DYE IN ELECTROPHOTOGRAPHY OR SILVER HALIDE PHOTOGRAPHY, OR A DYE FOR YAMAMOTO CHEMICALS, INC. (JP) 2002-01-29 US disclosed
US-6261737-B1 NEAR INFRARED ABSORBERS WITH HIGH LIGHT-TO-HEAT CONVERSION EFFICIENCY AND HIGH SENSITIVITY TO LASER BEAMS; USEFUL IN MAKING DIRECT PRINTING PLATE; IMAGE RECORDING; ELECTROPHOTOGRAPHY, SILVER HALIDE PHOTOGRAPHY; OPTICAL DISK YAMAMOTO CHEMICALS, INC. (JP) 2001-07-17 US disclosed
EP-1063231-A1 Polymethine compounds, method of producing the same, and use thereof Yamamoto Chemicals, Inc. (JP) 2000-12-27 EP disclosed
EP-1006116-A1 Polymethine compounds, method of producing same, and use thereof Yamamoto Chemicals, Inc. (JP) 2000-06-07 EP disclosed