SCHEMBL2864190

SCHEMBL2864190

O=C(O)[CH]C(C(=O)O)C(CC(=O)O)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.37
SLC22A6 Q4U2R8 1/20 0.35
FOLH1 Q04609 2/20 0.32
HDAC2 Q92769 1/20 0.31
GABRR1 P24046 2/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL9213672 0.79 TDP1 (0.59) TDP1SMN1; SMN2SLC22A6FOLH1HDAC2
SCHEMBL6629411 0.77 TDP1 (0.36) TDP1HDAC2
SCHEMBL8815410 0.77 TDP1 (0.56) TDP1SMN1; SMN2SLC22A6FOLH1HDAC2
SCHEMBL16925719 0.74 TDP1 (1.00) TDP1SMN1; SMN2SLC22A6FOLH1GABRR1
SCHEMBL165643 0.74 TDP1 (1.00) TDP1SMN1; SMN2SLC22A6FOLH1GABRR1
SCHEMBL17517216 0.74 TDP1 (1.00) TDP1SMN1; SMN2SLC22A6FOLH1GABRR1
SCHEMBL22151 0.74 TDP1 (1.00) TDP1SMN1; SMN2SLC22A6FOLH1GABRR1
SCHEMBL6633035 0.74 CHRM1 (0.43) TDP1HDAC2
SCHEMBL29253256 0.74 TDP1 (0.52) TDP1SMN1; SMN2SLC22A6FOLH1
SCHEMBL27468883 0.72 TDP1 (0.50) TDP1SMN1; SMN2SLC22A6FOLH1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0623670-B2 Aqueous based surfactant compositions HUNTSMAN INT LLC (US) 2010-01-20 EP disclosed
EP-0623670-B1 Aqueous based surfactant compositions RHODIA CONS SPEC LTD (GB) 2001-07-25 EP disclosed
US-6177396-B1 STABLE, POURABLE, SPHERULITIC STRUCTURED SURFACTANT COMPOSITION OF WATER, AN ANIONIC, NONIONIC, AND/OR AMPHOTERIC SURFACTANT, ELECTROLYTE, AND A STABILIZER COMPRISING AN ALKYL POLYGLYCOSIDE AS FLOCCULATION INHIBITOR, OPTIONALLY BUILDER ALBRIGHT & WILSON UK LIMITED (GB) 2001-01-23 US disclosed
US-6090762-A HAVING A STABILIZER COMPRISING A HYDROPHOBIC GROUP WITH FROM 5 TO 25 CARBON ATOMS LINKED AT ONE END TO ONE END OF AT LEAST ONE HYDROPHILIC GROUP OF GIVEN MASS, SAID STABILIZER BEING AN ALKYL THIOL CAPPED POLYACRYLATE WHICH INHIBITS FLOCCULATION ALBRIGHT & WILSON UK LIMITED (GB) 2000-07-18 US disclosed
EP-0623670-A2 Aqueous based surfactant compositions ALBRIGHT & WILSON UK LIMITED (GB) 1994-11-09 EP disclosed