SCHEMBL4004535

SCHEMBL4004535

COC(=O)CCOP(C)(=O)O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
SAT1 P21673 1/20 0.43
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 3/20 0.38
CA12 O43570 1/20 0.38
CA14 Q9ULX7 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPT P10636 2/20 0.36
HTT P42858 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
BTN3A1 O00481 1/20 0.33
RECQL P46063 1/20 0.33

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
SCHEMBL11595897 0.81 TSHR (0.48) TSHRKMT2AMEN1LMNACA12
SCHEMBL8028544 0.77 ALDH1A1 (0.46) TSHRSAT1KMT2AMEN1LMNA
SCHEMBL11519581 0.77 TSHR (0.42) TSHRSAT1KMT2AMEN1LMNA
SCHEMBL29000521 0.76 TSHR (0.67) TSHRKMT2AMEN1LMNACA12
SCHEMBL27522 0.76
SCHEMBL29172121 0.76 SAT1 (0.40) TSHRSAT1ALDH1A1BTN3A1
SCHEMBL18686710 0.75 SAT1 (0.50) TSHRSAT1KDM4EHSD17B10BTN3A1
Hydrochloric Acid SCHEMBL11241864 0.74 SAT1 (0.39) TSHRSAT1ALDH1A1BTN3A1
SCHEMBL8649476 0.74 SAT1 (0.39) SAT1ALDH1A1BTN3A1
SCHEMBL12192204 0.74

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
US-7501373-B1 Polymerization catalyst for polyester production, polyester, and process for producing polyester TOYO BOSEKI KABUSHIKI KAISHA (JP) 2009-03-10 US disclosed
EP-1153953-B1 POLYMERIZATION CATALYST FOR POLYESTER PRODUCTION, POLYESTER, AND PROCESS FOR PRODUCING POLYESTER TOYO BOSEKI (JP) 2008-11-05 EP disclosed
EP-1153953-A1 POLYMERIZATION CATALYST FOR POLYESTER PRODUCTION, POLYESTER, AND PROCESS FOR PRODUCING POLYESTER Toyo Boseki Kabushiki Kaisha (JP) 2001-11-14 EP disclosed