SCHEMBL7043593

SCHEMBL7043593

CC(CI)(CI)COP(=O)(OCC(C)(CI)CI)OCC(C)(CI)CI

nearest known ligand 0.38

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
CYP3A4 P08684 1/20 0.32

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
SCHEMBL7045722 0.75 ALDH1A1 (0.40) TSHRCYP3A4
SCHEMBL3686516 0.75 TSHR (0.38) TSHRCYP3A4
SCHEMBL7043736 0.74 TSHR (0.35) TSHR
SCHEMBL599835 0.73 TSHR (0.45) TSHRCYP3A4
SCHEMBL5273247 0.69 TSHR (0.41) TSHRCYP3A4
SCHEMBL7045148 0.69 TSHR (0.32) TSHR
SCHEMBL25170770 0.67 TSHR (0.38) TSHRCYP3A4
SCHEMBL7160257 0.67 TSHR (0.46) TSHRCYP3A4
Phosphoric Acid SCHEMBL17477136 0.67 TSHR (0.39) TSHRCYP3A4
SCHEMBL5908907 0.65 TSHR (0.65) TSHRCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1034177-B1 PROCESS FOR PRODUCING HALOGEN-CONTAINING PHOSPHATE ESTER DAIHACHI CHEM IND (JP) 2003-03-26 EP disclosed
US-6211396-B1 REACTING A PHOSPHORUS HALIDE SELECTED FROM PHOSPHORUS OXYHALIDES AND PHOSPHORUS PENTAHALIDES WITH A HALOGEN-CONTAINING HYDROXY COMPOUND TO OBTAIN A REACTION MIXTURE INCLUDING A HALOGEN-CONTAINING PHOSPHATE ESTER DAIHACHI CHEMICAL INDUSTRY CO., LTD. (JP) 2001-04-03 US disclosed