SCHEMBL30835142

SCHEMBL30835142

OC(CCC(O)C1CCCO1)C1CCCO1

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.37
HPGD P15428 1/20 0.33
LMNA P02545 1/20 0.33
MEN1 O00255 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 2/20 0.30
HSD17B10 Q99714 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL18526297 0.89 NOS2 (0.33) NOS2HPGDLMNAMEN1HTT
SCHEMBL1864816 0.86
SCHEMBL21794157 0.86
SCHEMBL4946370 0.86 NOS2 (0.31) NOS2
SCHEMBL29006681 0.84
SCHEMBL11155080 0.83 SLC6A3 (0.33)
SCHEMBL4396424 0.82
SCHEMBL14037948 0.82
SCHEMBL13591362 0.82
SCHEMBL3703373 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113896697-B Synthesis method of tetrahydrofurfuryl alcohol hexyl ether 中国石油化工股份有限公司 2024-11-15 CN disclosed
CN-113896696-B Method for removing tetrahydrofurfuryl alcohol from tetrahydrofurfuryl alcohol ethyl ether crude product by reaction method 中国石油化工股份有限公司 2024-03-12 CN disclosed