SCHEMBL3217513

SCHEMBL3217513

COC(C)(C)CC(O)CO

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.40
ALDH1A1 P00352 2/20 0.40
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
THRB P10828 1/20 0.33
AGTR1 P30556 1/20 0.31
CYP1A2 P05177 1/20 0.31
USP2 O75604 1/20 0.30
AR P10275 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
SCHEMBL10457077 0.88 ALDH1A1 (0.35) LMNAALDH1A1TDP1TSHRUSP2
SCHEMBL31235651 0.79 TSHR (0.46) ALDH1A1TDP1TSHR
SCHEMBL19636624 0.78 USP2 (0.35) LMNAALDH1A1TSHRAGTR1CYP1A2
Glycerin SCHEMBL5765878 0.78 ALDH1A1 (0.53) LMNAALDH1A1TDP1TSHRTHRB
SCHEMBL17277074 0.77 ALDH1A1 (0.38) ALDH1A1TDP1TSHR
SCHEMBL8210080 0.77 KDM4E (0.38) ALDH1A1TDP1TSHR
SCHEMBL18799937 0.77 ALDH1A1 (0.33) LMNAALDH1A1TDP1
SCHEMBL28181941 0.75 TSHR (0.42) ALDH1A1TDP1TSHR
SCHEMBL1191993 0.75
SCHEMBL414699 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2087053-B1 POLYMERIZABLE COMPOSITION COMPRISING PERFLUOROPOLYETHER MATERIAL HAVING ETHYLENE OXIDE REPEAT UNIT SEGMENT 3M INNOVATIVE PROPERTIES CO (US) 2016-06-22 EP disclosed
US-8415014-B2 Polymerizable composition comprising perfluoropolyether material having ethylene oxide repeat unit segment 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-04-09 US disclosed
US-8383694-B2 Polymerizable composition comprising perfluoropolyether material having ethylene oxide repeat unit segment 3M INNOVATIVE PROPERTIES COMPANY (US) 2013-02-26 US disclosed
US-20130004773-A1 POLYMERIZABLE COMPOSITION COMPRISING PERFLUOROPOLYETHER MATERIAL HAVING ETHYLENE OXIDE REPEAT UNIT SEGMENT 3M INNOVATIVE PROPERTIES COMPANY 2013-01-03 US disclosed
US-20120142856-A1 POLYMERIZABLE COMPOSITION COMPRISING PERFLUOROPOLYETHER MATERIAL HAVING ETHYLENE OXIDE REPEAT UNIT SEGMENT 3M INNOVATIVE PROPERTIES COMPANY 2012-06-07 US disclosed
US-20100055470-A1 POLYMERIZABLE COMPOSITION COMPRISING PERFLUOROPOLYETHER MATERIAL HAVING ETHYLENE OXIDE REPEAT UNIT SEGMENT KLUN THOMAS P 2010-03-04 US disclosed
EP-2087053-A1 POLYMERIZABLE COMPOSITION COMPRISING PERFLUOROPOLYETHER MATERIAL HAVING ETHYLENE OXIDE REPEAT UNIT SEGMENT 3M Innovative Properties Company (US) 2009-08-12 EP disclosed
CN-100470914-C Composition suitable as solid electrolytes or separators for electrochemical cells BASF AG (DE) 2009-03-18 CN disclosed
WO-2008067262-A1 POLYMERIZABLE COMPOSITION COMPRISING PERFLUOROPOLYETHER MATERIAL HAVING ETHYLENE OXIDE REPEAT UNIT SEGMENT 3M INNOVATIVE PROPERTIES COMPANY (US) 2008-06-05 WO disclosed
US-20080124555-A1 POLYMERIZABLE COMPOSITION COMPRISING PERFLUOROPOLYETHER URETHANE HAVING ETHYLENE OXIDE REPEAT UNITS 3M INNOVATIVE PROPERTIES COMPANY 2008-05-29 US disclosed
CN-1220030-A Composition suitable as solid electrolytes or separators for electrochemical cells BASF AG (DE) 1999-06-16 CN disclosed