SCHEMBL6129253

SCHEMBL6129253

COC(C)COC(=O)OOC(=O)OCC(C)OC

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.35
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
NFKB1 P19838 1/20 0.32
PTGS1 P23219 1/20 0.32
APEX1 P27695 1/20 0.32
THPO P40225 1/20 0.32
PMP22 Q01453 1/20 0.32
KMT2A Q03164 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL1470196 0.90 ALDH1A1 (0.39) TSHRALDH1A1MEN1LMNACYP3A4
SCHEMBL1128515 0.88 TSHR (0.37) TSHRALDH1A1MEN1LMNACYP3A4
SCHEMBL38664174 0.88 TSHR (0.37) TSHRALDH1A1MEN1LMNACYP3A4
SCHEMBL38663511 0.88 TSHR (0.37) TSHRALDH1A1MEN1LMNACYP3A4
SCHEMBL631747 0.82 TSHR (0.50) TSHRALDH1A1MEN1LMNACYP3A4
SCHEMBL17461586 0.82 TSHR (0.33) TSHRALDH1A1MEN1LMNACYP3A4
SCHEMBL1469075 0.82 ALDH1A1 (0.56) TSHRALDH1A1MEN1LMNACYP3A4
SCHEMBL12262433 0.82 MAPT (0.40) TSHRALDH1A1MEN1LMNACYP3A4
SCHEMBL12262574 0.80 TSHR (0.41) TSHRALDH1A1MEN1LMNACYP3A4
SCHEMBL12262567 0.80 TSHR (0.41) TSHRALDH1A1MEN1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6846888-B2 Stabilized with a dialkyl maleate; suitable for making polyvinyl chloride for food contact use ATOFINA CHEMICALS, INC. (US) 2005-01-25 US disclosed
EP-1231206-B1 Stabilized organic peroxidicarbonate compositions ATOFINA CHEM INC (US) 2004-03-17 EP disclosed
US-20020177678-A1 Stabilized with a dialkyl maleate; suitable for making polyvinyl chloride for food contact use ATOFINA CHEMICALS, INC. 2002-11-28 US disclosed
EP-1231206-A1 Stabilized organic peroxidicarbonate compositions Atofina Chemicals, Inc. (US) 2002-08-14 EP disclosed
US-6399728-B1 USING UNSATURATED DIESTER ATOFINA CHEMICALS, INC. 2002-06-04 US disclosed
EP-0281210-B1 Process for preparing vinyl chloride polymer SHINETSU CHEMICAL CO (JP) 1997-04-23 EP disclosed
US-5548046-A HOMO OR COPOLYMERIZING ETHYLENICALLY UNSATURATED COMPOUNDS WITH DIALKYL PEROXYCARBONATE CONTAINING NITRILE OR ACETYLENE CONTAINING COMPOUND; THERMAL STABILITY ELF ATOCHEM NORTH AMERICA, INC. (US) 1996-08-20 US disclosed
US-5541151-A ACRYLONITRILES OR VINYLACETYLENES ELF ATOCHEM NORTH AMERICA, INC. (US) 1996-07-30 US disclosed
US-5011897-A Adding antioxidant dispersion that has been preheated and cooled SHIN-ETSU CHEMICAL CO., LTD. (JP) 1991-04-30 US disclosed
EP-0281210-A2 Process for preparing vinyl chloride polymer Shin-Etsu Chemical Co., Ltd. (JP) 1988-09-07 EP disclosed