SCHEMBL1960772

SCHEMBL1960772

O=P(O)(O)OP(=O)(OO)OO

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.56
BLM P54132 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
CA4 P22748 1/20 0.30
BTN3A1 O00481 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
Ammonia Solution, Strong SCHEMBL27818949 0.91 FDPS (0.47) FDPSBLMTDP1
SCHEMBL1766043 0.82 FDPS (0.69) FDPSBLMTDP1CA4BTN3A1
SCHEMBL2215874 0.82 FDPS (0.38) FDPSBLMTDP1
Pyrophosphoric Acid SCHEMBL3362375 0.79 FDPS (0.77) FDPSBLMTDP1CA4BTN3A1
SCHEMBL27994230 0.79 FDPS (0.64) FDPSBLMTDP1CA4BTN3A1
SCHEMBL19332367 0.79 FDPS (0.64) FDPSBLMTDP1CA4BTN3A1
SCHEMBL11205115 0.79 FDPS (0.64) FDPSBLMTDP1CA4BTN3A1
SCHEMBL28706085 0.76 FDPS (0.60) FDPSBLMTDP1CA4BTN3A1
Pyrophosphoric Acid SCHEMBL3654 0.73
Pyrophosphoric Acid SCHEMBL292348 0.73 FDPS (1.00) FDPSBLMTDP1CA4BTN3A1

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8956595-B2 Calcium peroxyphosphates and use thereof in dental compositions ADA FOUNDATION (US) 2015-02-17 US claimed
US-20110142768-A1 CALCIUM PEROXYPHOSPHATES AND USE THEREOF IN DENTAL COMPOSITIONS ADA FOUNDATION (US) 2011-06-16 US claimed
WO-2006006998-A1 CALCIUM PEROXYPHOSPHATES AND USE THEREOF IN DENTAL COMPOSITIONS ADA FOUNDATION (US) 2006-01-19 WO claimed
US-20050281759-A1 Calcium peroxyphosphates and use thereof in dental compositions AMERICAN DENTAL ASSOCIATION HEALTH FOUNDATION (US) 2005-12-22 US claimed
CN-105381168-B A kind of Yaotongning medicine and preparation method thereof 李毅 2019-09-24 CN disclosed
US-9320692-B2 Tooth fluoridating and remineralizing compositions and methods, based on nanoaggregate formation ADA FOUNDATION (US) 2016-04-26 US disclosed
CN-105381168-A Backache relieving drug and preparation method thereof LI YI 2016-03-09 CN disclosed
US-8956595-B2 Calcium peroxyphosphates and use thereof in dental compositions ADA FOUNDATION (US) 2015-02-17 US disclosed
US-20110142768-A1 CALCIUM PEROXYPHOSPHATES AND USE THEREOF IN DENTAL COMPOSITIONS ADA FOUNDATION (US) 2011-06-16 US disclosed
US-7846411-B2 Calcium peroxyphosphates and use thereof in dental compositions ADA FOUNDATION (US) 2010-12-07 US disclosed
WO-2008147997-A1 TOOTH FLUORIDATING AND REMINERALIZING COMPOSITIONS AND METHODS, BASED ON NANOAGGREGATE FORMATION ADA FOUNDATION (US) 2008-12-04 WO disclosed
US-20080292565-A1 TOOTH FLUORIDATING AND REMINERALIZING COMPOSITIONS AND METHODS, BASED ON NANOAGGREGATE FORMATION ADA FOUNDATION (US) 2008-11-27 US disclosed
CN-101284057-A Yaotongning medicine and preparation method thereof YI LI (CN) 2008-10-15 CN disclosed
WO-2006006998-A1 CALCIUM PEROXYPHOSPHATES AND USE THEREOF IN DENTAL COMPOSITIONS ADA FOUNDATION (US) 2006-01-19 WO disclosed
US-20050281759-A1 Calcium peroxyphosphates and use thereof in dental compositions AMERICAN DENTAL ASSOCIATION HEALTH FOUNDATION (US) 2005-12-22 US disclosed