SCHEMBL1869381

SCHEMBL1869381

CCCC(=O)OC.CCOC(=O)C(C)CC

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
GAA P10253 2/20 0.40
ALDH1A1 P00352 2/20 0.40
MGAM O43451 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.38
KMT2A Q03164 3/20 0.36
POLB P06746 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
CYP3A4 P08684 1/20 0.35
CHRM1 P11229 1/20 0.35
ALOX15 P16050 1/20 0.35
ADORA1 P30542 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
Methyl 2-Methylbutanoate SCHEMBL6708352 0.84 CYP1A2 (0.42) TSHRGAAMGAMSIMGAM2
Ethyl Acetate SCHEMBL28324431 0.82 ALDH1A1 (0.48) TSHRGAAALDH1A1MGAMSI
SCHEMBL280605 0.82
SCHEMBL31352637 0.82 ALDH1A1 (0.48) GAAALDH1A1MGAMSIMGAM2
SCHEMBL118486 0.82
SCHEMBL8954889 0.82
Butyric Acid SCHEMBL1867342 0.81 FFAR3 (0.52) TSHRALDH1A1KMT2ACYP3A4ALOX15
SCHEMBL12532804 0.81 TSHR (0.46) TSHRGAAALDH1A1MGAMSI
SCHEMBL5015129 0.81 L3MBTL1 (0.47) TSHRGAAALDH1A1MGAMSI
SCHEMBL1416117 0.81 TSHR (0.46) TSHRALDH1A1KMT2ACA2CA12

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
EP-3664900-A1 PHOTOSENSITIVE MICROCAPSULES Procter & Gamble International Operations SA (CH) 2020-06-17 EP disclosed
EP-3596192-A1 BENEFIT AGENT CONTAINING DELIVERY PARTICLE SLURRIES The Procter and Gamble Company (US) 2020-01-22 EP disclosed
EP-3596195-A1 BENEFIT AGENT CONTAINING DELIVERY PARTICLE The Procter and Gamble Company (US) 2020-01-22 EP disclosed
WO-2019030393-A1 PHOTOSENSITIVE MICROCAPSULES PROCTER & GAMBLE INTERNATIONAL OPERATIONS SA (CH) 2019-02-14 WO disclosed
WO-2018169531-A1 BENEFIT AGENT CONTAINING DELIVERY PARTICLE SLURRIES THE PROCTER & GAMBLE COMPANY (US) 2018-09-20 WO disclosed
WO-2018169532-A1 BENEFIT AGENT CONTAINING DELIVERY PARTICLE THE PROCTER & GAMBLE COMPANY (US) 2018-09-20 WO disclosed
EP-3274434-A1 PERFUME COMPOSITIONS Johnson & Johnson Consumer Inc. (US) 2018-01-31 EP disclosed
WO-2017158497-A1 HYDROPHOBICALLY MODIFIED UREA ETHERS AS STRUCTURANTS FOR HYDROPHOBIC SYSTEMS PROCTER & GAMBLE INERNATIONAL OPERATIONS SA (CH) 2017-09-21 WO disclosed
WO-2017131818-A1 PERFUME COMPOSITIONS JOHNSON & JOHNSON CONSUMER INC. (US) 2017-08-03 WO disclosed
EP-2741731-A1 ENCAPSULATES The Procter and Gamble Company (US) 2014-06-18 EP disclosed
WO-2013022949-A1 ENCAPSULATES THE PROCTER & GAMBLE COMPANY (US) 2013-02-14 WO disclosed
EP-2512406-A1 PERFUMES AND PERFUME ENCAPSULATES The Procter & Gamble Company (US) 2012-10-24 EP disclosed
EP-2513280-A1 COMPOSITION COMPRISING ENCAPSULATES, AND PROCESS FOR MAKING THEM The Procter & Gamble Company (US) 2012-10-24 EP disclosed
EP-2496681-A1 HIGH EFFICIENCY CAPSULES COMPRISING BENEFIT AGENT The Procter & Gamble Company (US) 2012-09-12 EP disclosed
WO-2012085864-A1 ENCAPSULATES PROCTER & GAMBLE INTERNATIONAL OPERATIONS SA (CH) 2012-06-28 WO disclosed
WO-2011075556-A1 COMPOSITION COMPRISING ENCAPSULATES, AND PROCESS FOR MAKING THEM THE PROCTER & GAMBLE COMPANY (US) 2011-06-23 WO disclosed
WO-2011075551-A1 PERFUMES AND PERFUME ENCAPSULATES THE PROCTER & GAMBLE COMPANY (US) 2011-06-23 WO disclosed
WO-2011056934-A1 HIGH EFFICIENCY CAPSULES COMPRISING BENEFIT AGENT THE PROCTER & GAMBLE COMPANY (US) 2011-05-12 WO disclosed