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SCHEMBL9419912

SCHEMBL9419912

C[N+]1(C)CCCC2CCCC(P(=O)(O)O)(P(=O)(O)O)C21

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KMT2A Q03164 1/20 0.33

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
Iodide SCHEMBL8387854 0.98 MEN1 (0.33) MEN1TSHRKMT2A
SCHEMBL8465541 0.93 MEN1 (0.33) MEN1TSHRKMT2A
Iodide SCHEMBL8468496 0.92 MEN1 (0.33) MEN1TSHRKMT2A
SCHEMBL8467964 0.71 MEN1 (0.32) MEN1TSHRKMT2A
SCHEMBL8468542 0.70 MEN1 (0.33) MEN1TSHRKMT2A
SCHEMBL8498316 0.67 MEN1 (0.33) MEN1TSHRKMT2A
Iodide SCHEMBL8468039 0.66 MEN1 (0.33) MEN1TSHRKMT2A
Hydrochloric Acid SCHEMBL8498376 0.66 MEN1 (0.33) MEN1TSHRKMT2A
Iodide SCHEMBL8500685 0.66 MEN1 (0.33) MEN1TSHRKMT2A
SCHEMBL9227232 0.62 FDPS (0.31) —

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
WO-1994000130-A1 COMPOSITIONS FOR THE TREATMENT OF ARTHRITIS CONTAINING PHOSPHONATES AND NSAIDS PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1994-01-06 — — WO claimed
WO-1993024499-A1 QUATERNARY NITROGEN-CONTAINING PHOSPHONATE COMPOUNDS FOR TREATING ABNORMAL CALCIUM AND PHOSPHATE METABOLISM PROCTER & GAMBLE PHARMACEUTICALS, INC. (US) 1993-12-09 — — WO disclosed