Dodecanoate

Dodecanoate

SCHEMBL28147192

CCCCC(CC)C[Sn+3].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-].CCCCCCCCCCCC(=O)[O-]

nearest known ligand 0.64

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.64
FABP3 P05413 7/20 0.50
NFKB1 P19838 1/20 0.49
GPR84 Q9NQS5 1/20 0.47
CA1 P00915 1/20 0.47
CYP3A4 P08684 1/20 0.46
TSHR P16473 1/20 0.46
ATM Q13315 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CES2 O00748 2/20 0.44
CES1 P23141 2/20 0.44

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
Adipic Acid SCHEMBL28513832 0.97 CA2 (0.68) CA2FABP3NFKB1GPR84CA1
Acetic Acid SCHEMBL674387 0.84 CA2 (0.58) CA2CA1CYP3A4TSHRATM
Dodecanoate SCHEMBL672911 0.82 CA2 (0.62) CA2FABP3NFKB1GPR84CA1
Dodecanoate SCHEMBL4445235 0.82 CA2 (0.62) CA2FABP3NFKB1GPR84CA1
Stearic Acid SCHEMBL4454256 0.82 CA2 (0.62) CA2FABP3NFKB1GPR84CA1
Dodecanoate SCHEMBL6433160 0.82 CA2 (0.62) CA2FABP3NFKB1GPR84CA1
Succinic Acid SCHEMBL27866447 0.81 CA2 (0.79) CA2FABP3NFKB1GPR84CA1
SCHEMBL5716632 0.80 NFKB1 (0.67) CA2FABP3NFKB1GPR84CA1
Dodecanoate SCHEMBL29714841 0.80 FABP3 (0.58) FABP3NFKB1GPR84CA1CES2
Hexacosanoic Acid SCHEMBL29412473 0.80 FABP3 (0.58) FABP3NFKB1GPR84CA1CES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3456746-B1 TERMINAL-MODIFIED CONJUGATED DIENE-BASED POLYMER, RUBBER COMPOSITION, AND RUBBER ARTICLE BRIDGESTONE CORP (JP) 2023-04-19 EP disclosed
CN-106604935-B Method for producing terminal-modified conjugated diene polymer, rubber composition, and tire 株式会社普利司通 2019-02-22 CN disclosed
CN-106604935-A Method for producing terminal-modified conjugated diene polymer, rubber composition, and tire 株式会社普利司通 2017-04-26 CN disclosed