SCHEMBL7043736

SCHEMBL7043736

O=P(OCC(CI)(CI)CI)(OCC(CI)(CI)CI)OCC(CI)(CI)CI

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ALDH1A1 P00352 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
SCHEMBL7043593 0.74 TSHR (0.38) TSHR
SCHEMBL6747906 0.72 ALDH1A1 (0.43) TSHRALDH1A1
SCHEMBL7161144 0.72 TSHR (0.35) TSHRALDH1A1
SCHEMBL34476 0.72 TSHR (0.35) TSHRALDH1A1
SCHEMBL25170770 0.71 TSHR (0.38) TSHRALDH1A1
SCHEMBL31218600 0.69 CYP3A4 (0.48) TSHRALDH1A1
Phosphoric Acid SCHEMBL1082092 0.67 TSHR (0.32) TSHRALDH1A1
SCHEMBL19384588 0.65 TSHR (0.44) TSHRALDH1A1
SCHEMBL9579408 0.65 TSHR (0.38) TSHRALDH1A1
SCHEMBL18895679 0.65 TSHR (0.38) TSHRALDH1A1

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 1 patent. 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