SCHEMBL4859360

SCHEMBL4859360

CC(C)COCCC(=O)OCC(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.42
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
EPHX2 P34913 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
LMNA P02545 2/20 0.35
CYP3A4 P08684 1/20 0.35
ATM Q13315 1/20 0.35
BLM P54132 1/20 0.34
KDM4E B2RXH2 1/20 0.34
DUSP3 P51452 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL22112006 0.88 TSHR (0.37) TSHRMAPTPOLBGAAALDH1A1
SCHEMBL19418927 0.88 TDP1 (0.46) TSHRMAPTPOLBGAAALDH1A1
SCHEMBL8647611 0.88 TSHR (0.42) TSHRMAPTPOLBGAAALDH1A1
SCHEMBL10612695 0.88 CYP1A2 (0.44) TSHRMAPTPOLBGAAALDH1A1
SCHEMBL20210489 0.86 MAPT (0.44) TSHRMAPTPOLBGAAALDH1A1
SCHEMBL18704286 0.86 TDP1 (0.45) TSHRMAPTPOLBGAAALDH1A1
SCHEMBL15343423 0.85 KDM4E (0.50) TSHRMAPTLMNAKDM4EDUSP3
SCHEMBL10087838 0.84 TSHR (0.44) TSHRMAPTPOLBGAAALDH1A1
SCHEMBL10087836 0.84 POLB (0.38) TSHRMAPTPOLBGAAALDH1A1
SCHEMBL10087835 0.84 POLB (0.38) TSHRMAPTPOLBGAAALDH1A1

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
CN-109336761-B Preparation method of 3-isobutoxy propionic acid isobutyl ester 韶关市合众化工有限公司 2022-03-08 CN claimed
CN-109336761-A The preparation method of 3- isobutoxy isobutyl propionate 韶关市合众化工有限公司 2019-02-15 CN claimed
US-5756569-A FOR POLYMERS EASTMAN CHEMICAL COMPANY 1998-05-26 US claimed
WO-1997031982-A1 THE USE OF ALKYL 3-ALKOXYPROPIONATES AS COALESCING AGENTS IN AQUEOUS COATING COMPOSITIONS EASTMAN CHEMICAL COMPANY (US) 1997-09-04 WO claimed
EP-0408635-B1 TRANSESTERIFICATION OF ALKOXYESTERS EASTMAN KODAK CO (US) 1994-02-23 EP claimed
EP-0408635-A1 TRANSESTERIFICATION OF ALKOXYESTERS. EASTMAN KODAK CO (US) 1991-01-23 EP claimed
US-4898969-A Transesterification of alkoxyesters EASTMAN KODAK COMPANY (US) 1990-02-06 US claimed
WO-1989009762-A1 TRANSESTERIFICATION OF ALKOXYESTERS EASTMAN KODAK COMPANY (US) 1989-10-19 WO claimed
CN-109336761-B Preparation method of 3-isobutoxy propionic acid isobutyl ester 韶关市合众化工有限公司 2022-03-08 CN disclosed
CN-109336761-B Preparation method of 3-isobutoxy propionic acid isobutyl ester 韶关市合众化工有限公司 2022-03-08 CN disclosed
CN-109336761-B Preparation method of 3-isobutoxy propionic acid isobutyl ester 韶关市合众化工有限公司 2022-03-08 CN disclosed
CN-109336761-A The preparation method of 3- isobutoxy isobutyl propionate 韶关市合众化工有限公司 2019-02-15 CN disclosed
CN-109336761-A The preparation method of 3- isobutoxy isobutyl propionate 韶关市合众化工有限公司 2019-02-15 CN disclosed
CN-109336761-A The preparation method of 3- isobutoxy isobutyl propionate 韶关市合众化工有限公司 2019-02-15 CN disclosed
EP-0408635-B1 TRANSESTERIFICATION OF ALKOXYESTERS EASTMAN KODAK CO (US) 1994-02-23 EP disclosed
US-5011977-A Transesterification of alkoxyesters EASTMAN KODAK COMPANY (US) 1991-04-30 US disclosed
EP-0408635-A1 TRANSESTERIFICATION OF ALKOXYESTERS. EASTMAN KODAK CO (US) 1991-01-23 EP disclosed
US-4898969-A Transesterification of alkoxyesters EASTMAN KODAK COMPANY (US) 1990-02-06 US disclosed
WO-1989009762-A1 TRANSESTERIFICATION OF ALKOXYESTERS EASTMAN KODAK COMPANY (US) 1989-10-19 WO disclosed
US-4785133-A Process for the preparation of alkyl 3-alkoxypropionates EASTMAN KODAK COMPANY (US) 1988-11-15 US disclosed