SCHEMBL6544543

SCHEMBL6544543

CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.CCCn1ccnc1.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 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FDPS P14324 4/20 0.54
TBXAS1 P24557 8/20 0.53
EGLN3 Q9H6Z9 1/20 0.49
GGPS1 O95749 3/20 0.47
BTN3A1 O00481 1/20 0.47
CA12 O43570 1/20 0.47
CA2 P00918 1/20 0.47
LMNA P02545 1/20 0.47
MMP2 P08253 1/20 0.47
MMP9 P14780 1/20 0.47
MMP8 P22894 1/20 0.47
MMP14 P50281 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
QPCT Q16769 1/20 0.45
ALDH1A1 P00352 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42

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
Phosphoric Acid SCHEMBL4397363 0.93 FDPS (0.57) FDPSTBXAS1EGLN3GGPS1BTN3A1
Phosphoric Acid SCHEMBL28029142 0.93 FDPS (0.57) FDPSTBXAS1EGLN3GGPS1BTN3A1
Methyl Phosphonate SCHEMBL2525332 0.91 FDPS (0.56) FDPSTBXAS1EGLN3GGPS1BTN3A1
SCHEMBL5289567 0.90 TBXAS1 (0.64) FDPSTBXAS1EGLN3QPCTL3MBTL1
SCHEMBL2593831 0.88 TBXAS1 (0.72) FDPSTBXAS1QPCT
SCHEMBL20336232 0.87 TBXAS1 (0.75) FDPSTBXAS1
SCHEMBL17203424 0.87 TBXAS1 (0.75) FDPSTBXAS1
SCHEMBL152066 0.84
Diethyl Hydrogen Phosphate SCHEMBL4952771 0.83 FDPS (0.49) FDPSTBXAS1EGLN3GGPS1BTN3A1
Bicarbonate SCHEMBL28194026 0.83 EGLN3 (0.63) TBXAS1EGLN3ALDH1A1

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
EP-1372807-B1 IONIC LIQUIDS AS SELECTIVE ADDITIVES FOR THE SEPARATION OF CLOSE-BOILING OR AZEOTROPIC MIXTURES BASF AG (DE) 2004-10-13 EP disclosed
EP-1372807-A2 IONIC LIQUIDS AS SELECTIVE ADDITIVES FOR THE SEPARATION OF CLOSE-BOILING OR AZEOTROPIC MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2004-01-02 EP disclosed
WO-2002074718-A2 IONIC LIQUIDS AS SELECTIVE ADDITIVES FOR THE SEPARATION OF CLOSE-BOILING OR AZEOTROPIC MIXTURES BASF AKTIENGESELLSCHAFT (DE) 2002-09-26 WO disclosed