Glycerin

Glycerin

SCHEMBL9652902

CC1(O)CCC(O)CC1.OCC(O)CO

nearest known ligand 0.38

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
ESR2 Q92731 1/20 0.32
ATP1A1 P05023 1/20 0.31
ATP1B1 P05026 1/20 0.31
ATP1A3 P13637 1/20 0.31
ATP1B2 P14415 1/20 0.31
ATP1A2 P50993 1/20 0.31
ATP1B3 P54709 1/20 0.31
FXYD2 P54710 1/20 0.31
ATP1A4 Q13733 1/20 0.31
GPBAR1 Q8TDU6 1/20 0.30
SHBG P04278 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
SCHEMBL10361898 0.83 ESR2 (0.32) LMNAESR2ATP1A1ATP1B1ATP1A3
SCHEMBL180095 0.82
SCHEMBL16730136 0.82
SCHEMBL16750985 0.82
SCHEMBL112236 0.79 ESR2 (0.40) LMNAESR2GPBAR1SHBG
Glycerin SCHEMBL23530306 0.77 LMNA (0.56) LMNAALDH1A1SHBG
SCHEMBL14842481 0.75 ESR2 (0.32) ESR2
Cyclohexane SCHEMBL7502003 0.75 TSHR (0.38) LMNAESR2GPBAR1SHBG
SCHEMBL9815694 0.73 TSHR (0.43) LMNAESR2GPBAR1SHBG
SCHEMBL4147445 0.72 AKR1B10 (0.31) ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5106722-A Photoiniators having cyclopentadieneyl or indenyl groups and fluorinated aryl or heterocyclic ring; photoresists of unsaturated compounds CIBA-GEIGY CORPORATION (US) 1992-04-21 US disclosed
US-5008302-A Photoinitiators for radiation-induced polymerization of ethylenically unsaturated compounds CIBA-GEIGY CORPORATION (US) 1991-04-16 US disclosed