SCHEMBL5572607

SCHEMBL5572607

CC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)P(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PGK1 P00558 2/20 0.39
PGK2 P07205 2/20 0.39
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL23567078 1.00 PGK1 (0.39) PGK1PGK2KDM4ETSHRTDP1
SCHEMBL15413306 1.00 PGK1 (0.39) PGK1PGK2KDM4ETSHRTDP1
SCHEMBL15641960 0.98 PGK1 (0.41) PGK1PGK2KDM4ETSHRTDP1
SCHEMBL30538456 0.79 PGK1 (0.58) PGK1PGK2KDM4ETSHRTDP1
SCHEMBL12762061 0.79 PGK1 (0.58) PGK1PGK2KDM4ETSHRTDP1
SCHEMBL12762109 0.76 PGK1 (0.61) PGK1PGK2KDM4ETSHRTDP1
SCHEMBL10660665 0.75 KDM4E (0.36) KDM4ETSHRTDP1
SCHEMBL10660469 0.75 KDM4E (0.36) KDM4ETSHRTDP1
SCHEMBL7120346 0.75 KDM4E (0.36) KDM4ETSHRTDP1
SCHEMBL3915427 0.75 KDM4E (0.36) KDM4ETSHRTDP1

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
WO-2007101352-A1 METHOD OF SELECTIVE REMOVAL OF ORGANOPHOSPHONIC ACID MOLECULES FROM THEIR SELF-ASSEMBLED MONOLAYER ON SI SUBSTRATES THE UNIVERSITY OF WESTERN ONTARIO (CA) 2007-09-13 WO claimed
US-20070212808-A1 Method of selective removal of organophosphonic acid molecules from their self-assembled monolayer on Si substrates UNIVERSITY OF WESTERN ONTARIO, THE (CA) 2007-09-13 US claimed
WO-2007101352-A1 METHOD OF SELECTIVE REMOVAL OF ORGANOPHOSPHONIC ACID MOLECULES FROM THEIR SELF-ASSEMBLED MONOLAYER ON SI SUBSTRATES THE UNIVERSITY OF WESTERN ONTARIO (CA) 2007-09-13 WO disclosed
US-20070212808-A1 Method of selective removal of organophosphonic acid molecules from their self-assembled monolayer on Si substrates UNIVERSITY OF WESTERN ONTARIO, THE (CA) 2007-09-13 US disclosed