SCHEMBL10457331

SCHEMBL10457331

C=CCC(F)C(=O)C(F)(F)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.35
GRIK1 P39086 2/20 0.32
GRIK2 Q13002 2/20 0.32
ABCC4 O15439 1/20 0.32
MAPT P10636 1/20 0.32
CPA1 P15085 1/20 0.32

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
SCHEMBL10457045 0.82 CYP2C19 (0.31) CYP2C19
SCHEMBL4050183 0.73
SCHEMBL5566632 0.72 MAPT (0.33) MAPT
SCHEMBL28769395 0.72
SCHEMBL278696 0.70 MAPT (0.37) CYP2C19GRIK1GRIK2ABCC4MAPT
SCHEMBL10456076 0.69 FNTA (0.54) MAPT
SCHEMBL22208158 0.68 ALDH1A1 (0.32)
SCHEMBL9823675 0.67 GRIK1 (0.38) CYP2C19GRIK1GRIK2ABCC4MAPT
Bicarbonate SCHEMBL2034325 0.66 GRIK1 (0.40) CYP2C19GRIK1GRIK2ABCC4MAPT
SCHEMBL10457332 0.66 GRIK1 (0.32) CYP2C19GRIK1GRIK2CPA1

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
US-4943673-A Novel metal-diketone absorbents for olefins AIR PRODUCTS AND CHEMICALS, INC. (US) 1990-07-24 US disclosed
US-4877425-A FROM HYDROCARBON FEEDSTREAMS, POLLUTION CONTROL AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-10-31 US disclosed
US-4845254-A REMOVAL FROM FEEDSTREAM SILVER OR COPPER COMPLEXES AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-07-04 US disclosed
EP-0302436-A2 Metal-diketone absorbents for carbon monoxide or olefins AIR PRODUCTS AND CHEMICALS, INC. (US) 1989-02-08 EP disclosed