SCHEMBL7045148

SCHEMBL7045148

CC(CBr)(CBr)COP(=O)(OCC(CBr)(CBr)CBr)OCC(CBr)(CBr)CBr

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
ALDH1A1 P00352 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
SCHEMBL3686516 0.91 TSHR (0.38) TSHRALDH1A1
SCHEMBL34476 0.87 TSHR (0.35) TSHRALDH1A1
SCHEMBL10781134 0.81 TSHR (0.56) TSHR
Phosphoric Acid SCHEMBL1082092 0.80 TSHR (0.32) TSHRALDH1A1
SCHEMBL13228315 0.76 CYP3A4 (0.32) TSHR
SCHEMBL10782701 0.75 TSHR (0.48) TSHRALDH1A1
SCHEMBL10396544 0.74 ALDH1A1 (0.50) TSHRALDH1A1
SCHEMBL7614824 0.74
SCHEMBL8084387 0.74 LPAR3 (0.34)
SCHEMBL11710796 0.73 CYP3A4 (0.30)

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