SCHEMBL141387

SCHEMBL141387

C=CCOC(C)OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.41
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GALR3 O60755 1/20 0.35
BLM P54132 1/20 0.35
TRPV1 Q8NER1 1/20 0.31
USP2 O75604 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
RECQL P46063 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL10482082 0.85 TDP1 (0.37) TSHRTDP1CYP3A4ALDH1A1
SCHEMBL10482085 0.83 TDP1 (0.36) TSHRTDP1ALDH1A1
SCHEMBL1887536 0.82 TSHR (0.41) TSHRTDP1ALDH1A1
SCHEMBL1886950 0.82 TSHR (0.44) TSHRTDP1MAPTSMN1; SMN2CYP3A4
SCHEMBL4277441 0.82 TDP1 (0.39) TSHRTDP1LMNAALDH1A1
SCHEMBL1173040 0.82 TSHR (0.38) TSHRCHRM2CHRM4CHRM1TDP1
SCHEMBL7643553 0.82 HCAR2 (0.41) TSHRTDP1MAPT
SCHEMBL4449417 0.82 HCAR2 (0.41) TSHRTDP1MAPT
SCHEMBL11108421 0.82 TDP1 (0.35) TSHRTDP1
SCHEMBL7260879 0.79 TDP1 (0.33) TDP1

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4498929-A CONTAINING A SILICONE SURFACTANT TO PREVENT PREMATURE GELATION; REACTION INJECTION MOLDING ICI AMERICAS INC. (US) 1985-02-12 US claimed
US-4477366-A INJECTION MOLDING OF POLYURETHANES OR POLYUREAS ICI AMERICAS INC. (US) 1984-10-16 US claimed
CN-107072900-B High coverage, low odor malodor counteracting compounds and methods of use 国际香料和香精公司 2020-03-20 CN disclosed
US-9647213-B2 Interlayer for electronic devices MERCK PATENT GMBH (DE) 2017-05-09 US disclosed
US-9647222-B2 Gate insulator layer for organic 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
US-20120056183-A1 GATE INSULATOR LAYER FOR ORGANIC ELECTRONIC DEVICES PROMERUS LLC (US) 2012-03-08 US disclosed
EP-0283172-B1 LOAD-BEARING ARTICLE HAVING SURFACE LUBRICITY ICI AMERICAS INC. (US) 1992-04-22 EP disclosed
EP-0122743-B1 LIQUID ORGANIC POLYISOCYANATE COMPOSITION FOR USE IN REACTION INJECTION MOLDING IN PRESENCE OF SILOXANE MOLD RELEASE AGENT ICI AMERICAS INC. (US) 1990-12-05 EP disclosed
EP-0283172-A1 Load-bearing article having surface lubricity ICI AMERICAS INC. (US) 1988-09-21 EP disclosed
US-4766194-A ISOCYANATE-REACTIVE LUBRICANT INCORPORATED INTO POLYURETHANE MOLDING ICI AMERICAS INC. (US) 1988-08-23 US disclosed
US-4546154-A HIGH SPEED REACTION INJECTION MOLDING ICI AMERICAS INC. (US) 1985-10-08 US disclosed
US-4498929-A CONTAINING A SILICONE SURFACTANT TO PREVENT PREMATURE GELATION; REACTION INJECTION MOLDING ICI AMERICAS INC. (US) 1985-02-12 US disclosed
EP-0122743-A2 Liquid organic polyisocyanate composition for use in reaction injection molding in presence of siloxane mold release agent ICI AMERICAS INC. (US) 1984-10-24 EP disclosed
US-4477366-A INJECTION MOLDING OF POLYURETHANES OR POLYUREAS ICI AMERICAS INC. (US) 1984-10-16 US disclosed