Acetic Acid Butyl Ester

Acetic Acid Butyl Ester

SCHEMBL28187144

C1CCOOC1.CCCCOC(C)=O

nearest known ligand 0.69

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.69
▸ LMNA P02545 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ ATM Q13315 1/20 0.44
▸ APOBEC3A P31941 1/20 0.44
▸ APOBEC3G Q9HC16 1/20 0.44
▸ TSHR P16473 4/20 0.43
▸ NAAA Q02083 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ EPHX1 P07099 1/20 0.40
▸ ACHE P22303 6/20 0.39
▸ HCAR2 Q8TDS4 1/20 0.39

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
Acetic Acid Butyl Ester SCHEMBL28559791 0.89 ALDH1A1 (0.69) ALDH1A1LMNAPOLBSMN1; SMN2ATM
Acetic Acid Butyl Ester SCHEMBL9405649 0.87 ALDH1A1 (0.67) ALDH1A1LMNAPOLBSMN1; SMN2ATM
Acetic Acid Butyl Ester SCHEMBL28312833 0.86 ALDH1A1 (0.78) ALDH1A1LMNAPOLBSMN1; SMN2ATM
Acetic Acid Butyl Ester SCHEMBL6910715 0.86 ALDH1A1 (0.86) ALDH1A1LMNAPOLBSMN1; SMN2ATM
Acetic Acid Butyl Ester SCHEMBL28037776 0.85 — —
Acetic Acid Pentyl Ester SCHEMBL28576748 0.85 ALDH1A1 (0.63) ALDH1A1LMNAPOLBSMN1; SMN2APOBEC3A
Acetic Acid Butyl Ester SCHEMBL9273008 0.84 ALDH1A1 (0.75) ALDH1A1LMNAPOLBSMN1; SMN2ATM
Acetic Acid Butyl Ester SCHEMBL28149960 0.83 ALDH1A1 (0.90) ALDH1A1LMNAPOLBSMN1; SMN2ATM
Acetic Acid Pentyl Ester SCHEMBL4585817 0.83 ALDH1A1 (0.90) ALDH1A1LMNAATMTSHRNAAA
Acetic Acid Butyl Ester SCHEMBL8026335 0.83 ALDH1A1 (1.00) ALDH1A1LMNASMN1; SMN2ATMTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105765012-B Clear coating composition 大阪有机化学工业株式会社 2019-08-16 — — CN disclosed
CN-108473513-A There is the straight chain organopolysiloxane and its manufacturing method of different functional groups in two ends 信越化学工业株式会社 2018-08-31 — — CN disclosed
CN-105722867-B The manufacture method and application thereof of composite particles, composite particles 积水化成品工业株式会社 2018-05-11 — — CN disclosed
CN-107949581-A Composite particles and its manufacture method, with and application thereof 积水化成品工业株式会社 2018-04-20 — — CN disclosed
CN-107847357-A Adhesive material and adhesive material support used for adhesive material 日绊株式会社 2018-03-27 — — CN disclosed
CN-103842395-B Resin particle, method for producing resin particle, and use thereof 积水化成品工业株式会社 2017-10-27 — — CN disclosed
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