SCHEMBL143023

SCHEMBL143023

C1=CC2CCC1C2.COCCOC(C)=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
CHRM5 P08912 2/20 0.34
CHRM1 P11229 2/20 0.34
CHRM3 P20309 2/20 0.34
PGR P06401 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
HTR1A P08908 1/20 0.34
CHRNB2 P17787 1/20 0.34
TBXA2R P21731 1/20 0.34
CHRNB4 P30926 1/20 0.34
CHRNA3 P32297 1/20 0.34
CHRNA7 P36544 1/20 0.34
CHRNA4 P43681 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CHRNA10 Q9GZZ6 1/20 0.34
CHRNA9 Q9UGM1 1/20 0.34
SLC18A3 Q16572 2/20 0.34
GALR3 O60755 2/20 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
Acetic Acid Methyl Ester SCHEMBL3268142 0.78 ALDH1A1 (0.48) ALDH1A1LMNA
SCHEMBL24200 0.78
SCHEMBL28307391 0.78 ALDH1A1 (0.56) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL11060536 0.78 ALDH1A1 (0.56) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL4002515 0.78 ALDH1A1 (0.56) ALDH1A1TSHRCHRM5CHRM1CHRM3
Cyclopropane SCHEMBL5349822 0.76 ALDH1A1 (0.50) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL4406443 0.76
Acetone SCHEMBL9495889 0.76 ALDH1A1 (0.54) ALDH1A1TSHRCHRM5CHRM1CHRM3
SCHEMBL4412526 0.76
SCHEMBL5862125 0.76

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9647222-B2 Gate insulator layer for organic electronic devices MERCK PATENT GMBH (DE) 2017-05-09 US disclosed
US-9647213-B2 Interlayer for electronic devices MERCK PATENT GMBH (DE) 2017-05-09 US disclosed
US-9583713-B2 Interlayer for electronic devices MERCK PATENT GMBH (DE) 2017-02-28 US disclosed
EP-2676979-B1 Gate insulator layer for electronic devices MERCK PATENT GMBH (DE) 2016-07-13 EP disclosed
US-20150372246-A1 GATE INSULATOR LAYER FOR ORGANIC ELECTRONIC DEVICES FLEXENABLE TECHNOLOGY LIMITED (GB) 2015-12-24 US disclosed
US-20150349263-A1 INTERLAYER FOR ELECTRONIC DEVICES FLEXENABLE TECHNOLOGY LIMITED (GB) 2015-12-03 US disclosed
EP-2611842-B1 INTERLAYER FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-11-04 EP disclosed
US-9175123-B2 Gate insulator layer for organic electronic devices MERCK PATENT GMBH (DE) 2015-11-03 US disclosed
EP-2611841-B1 GATE INSULATOR LAYER FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-10-28 EP disclosed
EP-2676978-B1 INTERLAYER FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2015-06-24 EP disclosed
EP-2676979-A1 Gate insulator layer for electronic devices Merck Patent GmbH (DE) 2013-12-25 EP disclosed
EP-2676978-A1 Interlayer for electronic devices Merck Patent GmbH (DE) 2013-12-25 EP disclosed
EP-2611841-A1 GATE INSULATOR LAYER FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2013-07-10 EP disclosed
EP-2611842-A1 INTERLAYER FOR ELECTRONIC DEVICES Merck Patent GmbH (DE) 2013-07-10 EP disclosed
US-20120056249-A1 INTERLAYER FOR ELECTRONIC DEVICES PROMERUS LLC (US) 2012-03-08 US disclosed
WO-2012028278-A1 INTERLAYER FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-03-08 WO disclosed
WO-2012028279-A1 GATE INSULATOR LAYER FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2012-03-08 WO disclosed
US-20120056183-A1 GATE INSULATOR LAYER FOR ORGANIC ELECTRONIC DEVICES PROMERUS LLC (US) 2012-03-08 US disclosed