SCHEMBL11655431

SCHEMBL11655431

CC(C)CC(=O)COOCC(=O)CC(C)C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CYP2C19 P33261 1/20 0.43
CA2 P00918 1/20 0.42
ACHE P22303 1/20 0.38
MMP1 P03956 1/20 0.37
MMP2 P08253 1/20 0.37
MMP3 P08254 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.32
FFAR1 O14842 1/20 0.31

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
SCHEMBL11217982 0.83 ALDH1A1 (0.38) ALDH1A1TDP1CYP2C19SMN1; SMN2FFAR1
SCHEMBL5000616 0.81
SCHEMBL25963167 0.79 ALDH1A1 (0.42) ALDH1A1TDP1CYP2C19CA2ACHE
SCHEMBL36990 0.78 CYP2C19 (0.59) ALDH1A1TDP1CYP2C19CA2ACHE
SCHEMBL10834211 0.78 CYP2C19 (0.59) ALDH1A1TDP1CYP2C19CA2ACHE
SCHEMBL11494132 0.77 ALDH1A1 (0.40) ALDH1A1TDP1CYP2C19CA2ACHE
SCHEMBL9580639 0.77 ALDH1A1 (0.46) ALDH1A1TDP1CYP2C19CA2ACHE
Methane SCHEMBL9155165 0.76 CYP2C19 (0.56) ALDH1A1TDP1CYP2C19CA2ACHE
Ammonia Solution, Strong SCHEMBL7923599 0.76 CYP2C19 (0.56) ALDH1A1TDP1CYP2C19CA2ACHE
Hydrogen Peroxide SCHEMBL16799548 0.76 CYP2C19 (0.56) ALDH1A1TDP1CYP2C19CA2ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4072722-A OXIDIZING A MONOHYDRIC PHENOL WITH A KETONE PEROXIDE UBE INDUSTRIES, LTD. (JA) 1978-02-07 US claimed
CN-113166441-B Water-absorbent resin particles, absorbent article, and method for producing same 住友精化株式会社 2024-04-23 CN disclosed
CN-114080426-B Particulate water-absorbent resin composition 住友精化株式会社 2023-06-09 CN disclosed
CN-110446727-B Water-absorbent resin particles 住友精化株式会社 2022-08-26 CN disclosed
CN-110446726-B Water-absorbent resin particles 住友精化株式会社 2022-05-24 CN disclosed
CN-114080426-A Particulate water-absorbent resin composition 住友精化株式会社 2022-02-22 CN disclosed
CN-113544170-A Water-absorbent resin particles, absorbent article, method for producing water-absorbent resin particles, and method for increasing absorption capacity of absorbent under pressure 住友精化株式会社 2021-10-22 CN disclosed
CN-113544161-A Water-absorbent resin particles, absorbent body, and absorbent article 住友精化株式会社 2021-10-22 CN disclosed
CN-113543877-A Water-absorbent resin particles, absorbent body, absorbent article, method for measuring liquid flow retention rate of water-absorbent resin particles, and method for producing water-absorbent resin particles 住友精化株式会社 2021-10-22 CN disclosed
CN-113544169-A Water-absorbent resin particles, method for producing same, absorbent body, absorbent article, and method for adjusting permeation rate 住友精化株式会社 2021-10-22 CN disclosed
CN-113544162-A Absorbent body, absorbent article, and method for adjusting permeation rate 住友精化株式会社 2021-10-22 CN disclosed
CN-113166440-A Water-absorbent resin particles, absorbent article, and method for producing same 住友精化株式会社 2021-07-23 CN disclosed
CN-113166441-A Water-absorbent resin particles, absorbent article, and method for producing same 住友精化株式会社 2021-07-23 CN disclosed
CN-108273478-B Formaldehyde removal composition and product 李怀玉 2021-03-02 CN disclosed
US-4072722-A OXIDIZING A MONOHYDRIC PHENOL WITH A KETONE PEROXIDE UBE INDUSTRIES, LTD. (JA) 1978-02-07 US disclosed
US-4013727-A OXIDATION OF PHENYL ETHERS WITH HYDROGEN PEROXIDE UBE INDUSTRIES, LTD. (JA) 1977-03-22 US disclosed