SCHEMBL7022608

SCHEMBL7022608

O=C1CCCCCCC1(F)F

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRIM24 O15164 2/20 0.36
TRIM33 Q9UPN9 2/20 0.36
ALDH1A1 P00352 1/20 0.36
GRIN1 Q05586 3/20 0.31
GRIN2A Q12879 3/20 0.31
SLC6A4 P31645 2/20 0.31
GRIN2D O15399 2/20 0.31
GRIN3B O60391 2/20 0.31
GRIN2B Q13224 2/20 0.31
GRIN2C Q14957 2/20 0.31
GRIN3A Q8TCU5 2/20 0.31
OPRK1 P41145 1/20 0.31
LMNA P02545 1/20 0.31
OPRM1 P35372 1/20 0.31
CACNA1C Q13936 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
SCHEMBL12478883 0.97
SCHEMBL14430302 0.89
SCHEMBL13912713 0.75 TRIM24 (0.42) TRIM24TRIM33ALDH1A1
SCHEMBL8837715 0.72 TRIM24 (0.40) TRIM24TRIM33ALDH1A1GRIN1GRIN2A
SCHEMBL3400810 0.72 TRIM24 (0.40) TRIM24TRIM33ALDH1A1GRIN1GRIN2A
SCHEMBL3815762 0.72 TRIM24 (0.40) TRIM24TRIM33ALDH1A1GRIN1GRIN2A
SCHEMBL7638818 0.70 TRIM24 (0.38) TRIM24TRIM33ALDH1A1GRIN1GRIN2A
SCHEMBL3403022 0.70 TRIM24 (0.38) TRIM24TRIM33ALDH1A1GRIN1GRIN2A
SCHEMBL2775678 0.69 TRIM24 (0.37) TRIM24TRIM33ALDH1A1GRIN1GRIN2A
SCHEMBL2691988 0.68 TRIM24 (0.36) TRIM24TRIM33ALDH1A1GRIN1GRIN2A

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-1275631-A2 Fluorination with aminosulfur trifluorides AIR PRODUCTS AND CHEMICALS, INC. (US) 2003-01-15 EP disclosed
US-6222064-B1 PERFORMING FLUORINATION BY CONTACTING ALCOHOLS, ALDEHYDES, KETONES, EPOXIDES, AND MIXTURES USING A FLUORINATING REAGENT COMPRISING AMINOSULFUR TRIFLUORIDE COMPOUND AIR PRODUCTS AND CHEMICALS, INC. 2001-04-24 US disclosed
US-6080886-A STABLE, EFFICIENT FLUORINATION WITH LESS POTENTIAL OF VIOLENT DECOMPOSITION AND ATTENDANT HIGH GASEOUS BY-PRODUCT EVOLVEMENT; PRODUCING SYNTHETIC DRUGS AND AGROCHEMICAL PRODUCTS AIR PRODUCTS AND CHEMICALS, INC. (US) 2000-06-27 US disclosed
EP-0905109-A1 Fluorination with aminosulfur trifluorides AIR PRODUCTS AND CHEMICALS, INC. (US) 1999-03-31 EP disclosed