SCHEMBL328890

SCHEMBL328890

COC(=O)CCCCCC(P(=O)(OC)OC)P(=O)(OC)OC

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
LMNA P02545 2/20 0.44
ALDH1A1 P00352 1/20 0.44
PABPC1 P11940 1/20 0.40
APOBEC3A P31941 1/20 0.40
APOBEC3G Q9HC16 1/20 0.40
KMT2A Q03164 1/20 0.38
PPARG P37231 1/20 0.38
PLA2G2A P14555 2/20 0.37
KAT2B Q92831 1/20 0.36
FDPS P14324 3/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL4254005 0.77 TSHR (0.47) TSHRL3MBTL1LMNAALDH1A1
SCHEMBL494299 0.76 TSHR (0.82) TSHRL3MBTL1LMNAALDH1A1KMT2A
SCHEMBL3503395 0.76 TSHR (0.82) TSHRL3MBTL1LMNAALDH1A1KMT2A
SCHEMBL494112 0.76 TSHR (0.82) TSHRL3MBTL1LMNAALDH1A1KMT2A
SCHEMBL494114 0.76 TSHR (0.82) TSHRL3MBTL1LMNAALDH1A1KMT2A
SCHEMBL3502791 0.76 TSHR (0.82) TSHRL3MBTL1LMNAALDH1A1KMT2A
SCHEMBL1286873 0.76 TSHR (0.82) TSHRL3MBTL1LMNAALDH1A1KMT2A
SCHEMBL118000 0.76 TSHR (0.82) TSHRL3MBTL1LMNAALDH1A1KMT2A
SCHEMBL3503548 0.76 TSHR (0.82) TSHRL3MBTL1LMNAALDH1A1KMT2A
SCHEMBL3504568 0.76 TSHR (0.82) TSHRL3MBTL1LMNAALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8404144-B2 Compositions including polymerizable bisphosphonic acids and methods 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-03-26 US disclosed
EP-2407142-A1 Use of polymerizable bisphosphonic acids for the treatment of tooth surfaces that are not pretreated with phosphoric acid 3M Innovative Properties Company (US) 2012-01-18 EP disclosed
US-20090075239-A1 COMPOSITIONS INCLUDING POLYMERIZABLE BISPHOSPHONIC ACIDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY 2009-03-19 US disclosed
EP-1578377-A1 COMPOSITIONS INCLUDING POLYMERIZABLE BISPHOSPHONIC ACIDS AND METHODS 3M Innovative Properties Company (US) 2005-09-28 EP disclosed
US-20040206932-A1 Compositions including polymerizable bisphosphonic acids and methods 3M INNOVATIVE PROPERTIES COMPANY 2004-10-21 US disclosed
WO-2004060327-A1 COMPOSITIONS INCLUDING POLYMERIZABLE BISPHOSPHONIC ACIDS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-07-22 WO disclosed