SCHEMBL7914282

SCHEMBL7914282

O=P(O)(O)OP(=O)(O)ON1CCCCCC1.[NaH]

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.39
FDPS P14324 3/20 0.36
BLM P54132 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP9 P14780 1/20 0.34
MVD P53602 2/20 0.33
BTN3A1 O00481 2/20 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
SCHEMBL1242731 0.98 MAPT (0.40) MAPTFDPSBLMTDP1MMP1
SCHEMBL27610204 0.98 MAPT (0.40) MAPTFDPSBLMTDP1MMP1
SCHEMBL9857715 0.84 FDPS (0.41) MAPTFDPSMMP1MMP2MMP3
SCHEMBL27779937 0.82 FDPS (0.39) MAPTFDPSBLMTDP1MMP1
SCHEMBL2165602 0.82 FDPS (0.37) MAPTFDPSMMP1MMP2MMP3
SCHEMBL4859480 0.80 FDPS (0.33) FDPSBLMTDP1BTN3A1
SCHEMBL28788269 0.80 FDPS (0.36) MAPTFDPSBLMTDP1MMP1
SCHEMBL5874245 0.80 FDPS (0.41) MAPTFDPSBLMTDP1MMP1
Phosphoric Acid SCHEMBL27564760 0.78 FDPS (0.39) MAPTFDPSBLMTDP1MMP1
SCHEMBL29071032 0.78 MMP1 (0.39) FDPSBLMTDP1MMP1MMP3

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
US-6214320-B1 A SOURCE OF AN AZACYCLOALKANE-2,2-DIPHOSPHONATE ANION AS ANTICALCULUS AGENT, 5-CHLORO-2-(2,4-DICHLOROPHENOXY) PHENOL; AND AN ORAL CARRIER; APPLYING TO PREVENT TARTAR AND PLAQUE BUILD-UP COLGATE-PALMOLIVE COMPANY 2001-04-10 US disclosed