SCHEMBL9723381

SCHEMBL9723381

C=CCC(P(=O)(OCC)OCC)P(=O)(OCC)OCC

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
HMGCR P04035 2/20 0.37
TDP1 Q9NUW8 2/20 0.36
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.35
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
ACHE P22303 1/20 0.32
GAA P10253 1/20 0.32
PPARD Q03181 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL1849754 0.80 TSHR (0.40) TSHRHMGCRTDP1TP53POLB
SCHEMBL10384698 0.79 TSHR (0.36) TSHRTDP1TP53POLBALDH1A1
SCHEMBL4117495 0.75 POLB (0.38) TSHRPOLBALDH1A1LMNAMAPT
SCHEMBL9652021 0.74 TSHR (0.48) TSHRHMGCRTDP1TP53POLB
SCHEMBL8617347 0.74 PPARD (0.36) TSHRHMGCRTDP1TP53POLB
SCHEMBL8670808 0.72 HMGCR (0.37) TSHRHMGCRTDP1ALDH1A1LMNA
SCHEMBL3772237 0.71 TSHR (0.42) TSHRTDP1TP53POLBALDH1A1
SCHEMBL19468552 0.70 TSHR (0.43) TSHRHMGCRTDP1TP53POLB
SCHEMBL7644740 0.70 TSHR (0.43) TSHRHMGCRTDP1TP53POLB
SCHEMBL9063886 0.70 PPARD (0.44) TSHRHMGCRTDP1TP53POLB

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-5128331-A Gen-diphosphonates SYMPHAR S.A. (CH) 1992-07-07 US disclosed
US-4877603-A ANTICALCULUS AND ANTIPLAQUE COMPOSITION CONTAINING A GEMINAL DIPHOSPHONATE POLYMER THE PROCTER & GAMBLE COMPANY (US) 1989-10-31 US disclosed
EP-0321233-A1 Oral compositions THE PROCTER & GAMBLE COMPANY (US) 1989-06-21 EP disclosed