Methyl 2-Methylbutanoate

Methyl 2-Methylbutanoate

SCHEMBL1869834

CCC(C)C(=O)OC.CCC(C)C(=O)OC

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
HSD17B10 Q99714 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
CA14 Q9ULX7 2/20 0.41
ZDHHC7 Q9NXF8 1/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CA12 O43570 1/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MGAM O43451 1/20 0.38
GAA P10253 1/20 0.38
SI P14410 1/20 0.38
MGAM2 Q2M2H8 1/20 0.38
BIRC2 Q13490 1/20 0.36
TSHR P16473 1/20 0.35
ESRRB O95718 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 SCHEMBL283261 1.00
Methyl 2-Methylbutanoate SCHEMBL108113 1.00
Methyl 2-Methylbutanoate SCHEMBL8954886 1.00
Methyl 2-Methylbutanoate SCHEMBL23358383 0.97
Methyl 2-Methylbutanoate SCHEMBL27502998 0.97 CA1 (0.45) CA1CA2HSD17B10SMN1; SMN2CA14
Methyl 2-Methylbutanoate SCHEMBL28123513 0.97
Methyl 2-Methylbutanoate SCHEMBL27352651 0.97
Methyl 2-Methylbutanoate SCHEMBL27518909 0.95 CA1 (0.43) CA1CA2HSD17B10SMN1; SMN2CA14
Methyl 2-Methylbutanoate SCHEMBL28264726 0.95 CA1 (0.43) CA1CA2HSD17B10SMN1; SMN2CA14
Methyl 2-Methylbutanoate SCHEMBL28973687 0.93 CA1 (0.42) CA1CA2HSD17B10SMN1; SMN2CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-2018169532-A1 BENEFIT AGENT CONTAINING DELIVERY PARTICLE THE PROCTER & GAMBLE COMPANY (US) 2018-09-20 WO disclosed
WO-2018169531-A1 BENEFIT AGENT CONTAINING DELIVERY PARTICLE SLURRIES THE PROCTER & GAMBLE COMPANY (US) 2018-09-20 WO disclosed
WO-2017158497-A1 HYDROPHOBICALLY MODIFIED UREA ETHERS AS STRUCTURANTS FOR HYDROPHOBIC SYSTEMS PROCTER & GAMBLE INERNATIONAL OPERATIONS SA (CH) 2017-09-21 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-2513280-A1 COMPOSITION COMPRISING ENCAPSULATES, AND PROCESS FOR MAKING THEM The Procter & Gamble Company (US) 2012-10-24 EP disclosed
EP-2512406-A1 PERFUMES AND PERFUME ENCAPSULATES 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-2011075551-A1 PERFUMES AND PERFUME ENCAPSULATES THE PROCTER & GAMBLE COMPANY (US) 2011-06-23 WO disclosed
WO-2011075556-A1 COMPOSITION COMPRISING ENCAPSULATES, AND PROCESS FOR MAKING THEM 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