Ether

Ether

SCHEMBL9517511

CCOCC.OCC(O)COc1ccccc1

nearest known ligand 0.57

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.57
MAPK1 P28482 1/20 0.57
LMNA P02545 2/20 0.55
CYP2D6 P10635 3/20 0.53
ADRB2 P07550 1/20 0.53
ADRB1 P08588 1/20 0.53
ADRB3 P13945 1/20 0.53
CYP1A2 P05177 2/20 0.51
KDM4E B2RXH2 2/20 0.51
AGTR1 P30556 1/20 0.51
POLB P06746 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
AR P10275 1/20 0.48
MAPT P10636 1/20 0.47
HIF1A Q16665 1/20 0.46

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
SCHEMBL117951 0.89 TSHR (0.62) TSHRMAPK1LMNACYP2D6ADRB2
SCHEMBL6480727 0.89 TSHR (0.62) TSHRMAPK1LMNACYP2D6ADRB2
SCHEMBL4619478 0.89 TSHR (0.62) TSHRMAPK1LMNACYP2D6ADRB2
SCHEMBL11959217 0.86 LMNA (0.58) TSHRLMNACYP2D6ADRB2ADRB1
Bicarbonate SCHEMBL27926288 0.84 TSHR (0.57) TSHRMAPK1LMNACYP2D6ADRB2
Ether SCHEMBL7294405 0.83 AR (0.52) TSHRMAPK1LMNACYP1A2POLB
SCHEMBL8994531 0.82 TSHR (0.56) TSHRMAPK1LMNACYP2D6ADRB2
SCHEMBL1496800 0.82 TSHR (0.56) TSHRMAPK1LMNACYP2D6ADRB2
Butyric Acid SCHEMBL28199511 0.81 TSHR (0.51) TSHRMAPK1LMNACYP2D6ADRB2
Phenetole SCHEMBL12970958 0.81 LMNA (0.56) MAPK1LMNACYP2D6ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0328714-B1 STABILIZED OXYMETHYLENE COPOLYMER COMPOSITION Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1993-05-12 EP disclosed
EP-0328714-A1 Stabilized oxymethylene copolymer composition Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1989-08-23 EP disclosed
US-4792579-A ALKALINE EARTH METAL SALT OF AN ESTER OF A TRIBASIC INORGANIC ACID OF AN ORGANIC CARBOXYLIC ACID MONOESTER OF AN ALCOHOL HAVING TWO OR MORE HYDROXYL GROUPS ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1988-12-20 US disclosed