SCHEMBL30724539

SCHEMBL30724539

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.55
THPO P40225 1/20 0.55
LMNA P02545 2/20 0.46
CA4 P22748 2/20 0.43
FFAR3 O14843 1/20 0.42
LCK P06239 1/20 0.42
FYN P06241 1/20 0.42
CA1 P00915 2/20 0.39
BLM P54132 2/20 0.39
PMP22 Q01453 2/20 0.39
ALOX15 P16050 1/20 0.39
THRB P10828 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ALDH1A1 P00352 5/20 0.33
TDP1 Q9NUW8 1/20 0.33
KDM4E B2RXH2 1/20 0.33

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
SCHEMBL15656411 1.00 TSHR (0.55) TSHRTHPOLMNACA4FFAR3
SCHEMBL7099166 0.95 TSHR (0.60) TSHRTHPOLMNACA4FFAR3
SCHEMBL30849212 0.90 TSHR (0.55) TSHRTHPOLMNACA4FFAR3
SCHEMBL556991 0.84
Ammonia Solution, Strong SCHEMBL11244185 0.80
Acetone SCHEMBL9771958 0.80 LMNA (0.60) TSHRTHPOLMNACA4FFAR3
SCHEMBL28784840 0.80
SCHEMBL31106422 0.80
SCHEMBL11053648 0.79 TSHR (0.43) TSHRTHPOLMNACA4FFAR3
Acetamide SCHEMBL28551614 0.73 LMNA (0.67) TSHRTHPOLMNACA4FFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117396589-A Oral care flavor and assessment method for improving pleasure status 奇华顿股份有限公司 2024-01-12 CN claimed
CN-117396587-A Oral care flavor and assessment method for improving relaxation state 奇华顿股份有限公司 2024-01-12 CN claimed
CN-113316398-B Seamless capsule, filter and smoking article comprising same 三生医药株式会社 2024-06-11 CN disclosed
CN-117396589-A Oral care flavor and assessment method for improving pleasure status 奇华顿股份有限公司 2024-01-12 CN disclosed
CN-117396587-A Oral care flavor and assessment method for improving relaxation state 奇华顿股份有限公司 2024-01-12 CN disclosed