SCHEMBL2593831

SCHEMBL2593831

CCCCCn1ccnc1.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F.O=P(O)(O)F

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 14/20 0.72
FDPS P14324 2/20 0.50
QPCT Q16769 1/20 0.49
MAPK1 P28482 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL20336232 0.98 TBXAS1 (0.75) TBXAS1FDPSMAPK1HTTSMN1; SMN2
SCHEMBL17203424 0.98 TBXAS1 (0.75) TBXAS1FDPSMAPK1HTTSMN1; SMN2
SCHEMBL5289567 0.95 TBXAS1 (0.64) TBXAS1FDPSQPCTMAPK1HTT
Phosphoric Acid SCHEMBL29074288 0.93 TBXAS1 (0.77) TBXAS1FDPSQPCTMAPK1HTT
Phosphoric Acid SCHEMBL29194112 0.92 TBXAS1 (0.80) TBXAS1FDPSMAPK1HTTSMN1; SMN2
Phosphoric Acid SCHEMBL29193982 0.92 TBXAS1 (0.80) TBXAS1FDPSMAPK1HTTSMN1; SMN2
Phosphoric Acid SCHEMBL29193958 0.92 TBXAS1 (0.80) TBXAS1FDPSMAPK1HTTSMN1; SMN2
Phosphoric Acid SCHEMBL28028801 0.92 TBXAS1 (0.80) TBXAS1FDPSMAPK1HTTSMN1; SMN2
Phosphoric Acid SCHEMBL28028750 0.88 TBXAS1 (0.68) TBXAS1FDPSQPCTMAPK1SMN1; SMN2
SCHEMBL6544543 0.88 FDPS (0.54) TBXAS1FDPSQPCT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015162162-A1 PROCESS FOR DESULPHURISATION OF FUELS QID S.R.L. (IT) 2015-10-29 WO disclosed
US-20130115137-A1 SENSING MATERIALS FOR SELECTIVE AND SENSITIVE DETECTION OF HYDROCARBONS AND ACIDS THE ARIZONA BOARD OF REGENTS FOR AND ON BEHLAF OF ARIZONA STATE UNIVERSITY (US) 2013-05-09 US disclosed
WO-2011140239-A2 SENSING MATERIALS FOR SELECTIVE AND SENSITIVE DETECTION OF HYDROCARBONS AND ACIDS THE ARIZONA BOARD OF REGENTS FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 2011-11-10 WO disclosed