SCHEMBL11220113

SCHEMBL11220113

CCOC(=O)CN(CP(=O)(ONN1CCOCC1)ONN1CCOCC1)C(=O)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 2/20 0.35
ALDH1A1 P00352 3/20 0.35
LIPE Q05469 1/20 0.35
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
RECQL P46063 1/20 0.32
MLYCD O95822 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL11219122 0.89
SCHEMBL11289959 0.85
SCHEMBL10955089 0.78 MGAM (0.33)
SCHEMBL10953339 0.77 CA12 (0.34)
SCHEMBL10953681 0.76 MGAM (0.31)
SCHEMBL10952888 0.76 MGAM (0.31)
SCHEMBL10953232 0.75
SCHEMBL10953938 0.75 CHRM2 (0.30)
SCHEMBL10956382 0.74 CA12 (0.34) ALDH1A1SMN1; SMN2
SCHEMBL10955175 0.74 TP53 (0.34) TSHRPOLBMAPTALDH1A1RAB9A

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
US-4353731-A PREEMERGENCE AND POSTEMERGENCE HERBICIDES MONSANTO COMPANY (US) 1982-10-12 US claimed
EP-0008852-B1 AMIDE AND HYDRAZIDE DERIVATIVES OF N-TRIFLUORACETYL-N-PHOSPHONOMETHYLGLYCINE, HERBICIDAL COMPOSITIONS AND THEIR USE MONSANTO COMPANY (US) 1982-01-13 EP claimed
EP-0008852-A1 Amide and hydrazide derivatives of N-trifluoracetyl-N-phosphonomethylglycine, herbicidal compositions and their use MONSANTO COMPANY (US) 1980-03-19 EP claimed
US-4359332-A Amide and hydrazide derivatives of N-trifluoroacetyl-N-phosphonomethylglycine as herbicides MONSANTO COMPANY (US) 1982-11-16 US disclosed
EP-0008852-A1 Amide and hydrazide derivatives of N-trifluoracetyl-N-phosphonomethylglycine, herbicidal compositions and their use MONSANTO COMPANY (US) 1980-03-19 EP disclosed