SCHEMBL9577101

SCHEMBL9577101

CC(=O)OC1CCCCC1.[NaH]

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.50
NAAA Q02083 2/20 0.46
HTT P42858 1/20 0.44
CA12 O43570 2/20 0.43
CA1 P00915 2/20 0.43
CA2 P00918 2/20 0.43
CA9 Q16790 2/20 0.43
CYP2C19 P33261 1/20 0.42
CYP19A1 P11511 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CHRM2 P08172 3/20 0.37
CHRM4 P08173 3/20 0.37
CHRM1 P11229 3/20 0.37
CHRM3 P20309 3/20 0.37
CHRM5 P08912 2/20 0.37
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP12 P39900 1/20 0.37

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
SCHEMBL11098598 0.97 EPHX1 (0.52) EPHX1NAAAHTTCA12CA1
SCHEMBL93396 0.97 EPHX1 (0.52) EPHX1NAAAHTTCA12CA1
SCHEMBL1695496 0.97 EPHX1 (0.52) EPHX1NAAAHTTCA12CA1
SCHEMBL23018499 0.97 EPHX1 (0.52) EPHX1NAAAHTTCA12CA1
SCHEMBL5167284 0.97 EPHX1 (0.52) EPHX1NAAAHTTCA12CA1
SCHEMBL23506964 0.97 EPHX1 (0.52) EPHX1NAAAHTTCA12CA1
SCHEMBL200090 0.97 EPHX1 (0.52) EPHX1NAAAHTTCA12CA1
SCHEMBL19063411 0.97 EPHX1 (0.52) EPHX1NAAAHTTCA12CA1
SCHEMBL22540554 0.97 EPHX1 (0.52) EPHX1NAAAHTTCA12CA1
SCHEMBL31570134 0.97 EPHX1 (0.52) EPHX1NAAAHTTCA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107915627-B Method for synthesizing cyclohexyloxy allyl acetate by one-pot method 昆山亚香香料股份有限公司 2022-04-22 CN claimed
CN-110551022-A Method for synthesizing high-content cyclic galbanum ester spice ANHUI HYEA AROMAS CO LTD 2019-12-10 CN claimed
CN-107915627-B Method for synthesizing cyclohexyloxy allyl acetate by one-pot method 昆山亚香香料股份有限公司 2022-04-22 CN disclosed
CN-210885877-U Production device for high-content cyclic galbanum ester synthetic perfume 安徽华业香料股份有限公司 2020-06-30 CN disclosed
CN-110668938-A Production device and method for high-content cyclic galbanum ester synthetic perfume 安徽华业香料股份有限公司 2020-01-10 CN disclosed
CN-110551022-A Method for synthesizing high-content cyclic galbanum ester spice ANHUI HYEA AROMAS CO LTD 2019-12-10 CN disclosed
EP-0541549-A1 BIODEGRADABLE POLYMERIC MATERIALS AND ARTICLES FABRICATED THEREFROM AlliedSignal Inc. (US) 1993-05-19 EP disclosed
WO-1991006681-A1 METHOD FOR ENHANCING THE BIODEGRADATION OF BIODEGRADABLE POLYMERIC MATERIALS AND OF ARTICLES FABRICATED THEREFROM ALLIED-SIGNAL INC. (US) 1991-05-16 WO disclosed
WO-1991006601-A1 BIODEGRADABLE POLYMERIC MATERIALS AND ARTICLES FABRICATED THEREFROM ALLIED-SIGNAL INC. (US) 1991-05-16 WO disclosed