SCHEMBL14879730

SCHEMBL14879730

CCCCCC(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CES2 O00748 3/20 0.40
LPAR1 Q92633 1/20 0.40
LPAR3 Q9UBY5 1/20 0.40
TSHR P16473 1/20 0.35
THRB P10828 1/20 0.35
FAAH O00519 8/20 0.34
CES1 P23141 6/20 0.33
FDPS P14324 4/20 0.33
GGPS1 O95749 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
HSD17B10 Q99714 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
SCHEMBL10614958 0.97 CES2 (0.43) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL8593542 0.97 CES2 (0.39) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL30182847 0.97 CES2 (0.43) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL2894999 0.97 CES2 (0.43) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL1768870 0.92 CES2 (0.39) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL7719962 0.92 CES2 (0.32) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL6291255 0.90 CES2 (0.38) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL29191647 0.90 CES2 (0.42) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL15672868 0.90 CES2 (0.42) CES2LPAR1LPAR3TSHRTHRB
SCHEMBL6509409 0.90 CES2 (0.42) CES2LPAR1LPAR3TSHRTHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9828458-B2 Silica particles coated with β-cyclodextrin for the removal of emerging contaminants from wastewater Temple University—Of the Commonwealth System of Higher Education (US) 2017-11-28 US claimed
US-9687816-B2 Method of regeneration of beta-cyclodextrin based adsorbent-coated silica with ozone Temple University—Of the Commonwealth System of Higher Education (US) 2017-06-27 US claimed
US-20160367967-A1 Method of Regeneration of Beta-Cyclodextrin Based Adsorbent-Coated Silica With Ozone Temple University--of the Commonwealth System of Higher Education 2016-12-22 US claimed
WO-2015131066-A1 REGENERATING BETA-CYCLODEXTRIN BASED ADSORBENT-COATED SILICA WITH OZONE TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2015-09-03 WO claimed
EP-2768666-A1 SILICA PARTICLES COATED WITH BETA-CYCLODEXTRIN FOR THE REMOVAL OF EMERGING CONTAMINANTS FROM WASTEWATER Temple University Of The Commonwealth System Of Higher Education (US) 2014-08-27 EP claimed
US-20140231352-A1 SILICA PARTICLES COATED WITH BETA-CYCLODEXTRIN FOR THE REMOVAL OF EMERGING CONTAMINANTS FROM WASTEWATER TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-08-21 US claimed
WO-2013059285-A1 SILICA PARTICLES COATED WITH BETA-CYCLODEXTRIN FOR THE REMOVAL OF EMERGING CONTAMINANTS FROM WASTEWATER TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2013-04-25 WO claimed
US-9828458-B2 Silica particles coated with β-cyclodextrin for the removal of emerging contaminants from wastewater Temple University—Of the Commonwealth System of Higher Education (US) 2017-11-28 US disclosed
US-9687816-B2 Method of regeneration of beta-cyclodextrin based adsorbent-coated silica with ozone Temple University—Of the Commonwealth System of Higher Education (US) 2017-06-27 US disclosed
US-20160367967-A1 Method of Regeneration of Beta-Cyclodextrin Based Adsorbent-Coated Silica With Ozone Temple University--of the Commonwealth System of Higher Education 2016-12-22 US disclosed
WO-2015131066-A1 REGENERATING BETA-CYCLODEXTRIN BASED ADSORBENT-COATED SILICA WITH OZONE TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2015-09-03 WO disclosed
EP-2768666-A1 SILICA PARTICLES COATED WITH BETA-CYCLODEXTRIN FOR THE REMOVAL OF EMERGING CONTAMINANTS FROM WASTEWATER Temple University Of The Commonwealth System Of Higher Education (US) 2014-08-27 EP disclosed
US-20140231352-A1 SILICA PARTICLES COATED WITH BETA-CYCLODEXTRIN FOR THE REMOVAL OF EMERGING CONTAMINANTS FROM WASTEWATER TEMPLE UNIVERSITY - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-08-21 US disclosed
WO-2013059285-A1 SILICA PARTICLES COATED WITH BETA-CYCLODEXTRIN FOR THE REMOVAL OF EMERGING CONTAMINANTS FROM WASTEWATER TEMPLE UNIVERSITY-OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2013-04-25 WO disclosed