Dodecanoate

Dodecanoate

SCHEMBL672911

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

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.62
FABP3 P05413 7/20 0.49
NFKB1 P19838 1/20 0.47
GPR84 Q9NQS5 1/20 0.46
CA1 P00915 1/20 0.46
CYP3A4 P08684 1/20 0.45
TSHR P16473 1/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
CES2 O00748 2/20 0.42
CES1 P23141 2/20 0.42

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 SCHEMBL673522 0.84 CA2 (0.56) CA2CA1CYP3A4TSHRATM
Dodecanoate SCHEMBL28147192 0.82 CA2 (0.64) CA2FABP3NFKB1GPR84CA1
Stearic Acid SCHEMBL4454256 0.81 CA2 (0.62) CA2FABP3NFKB1GPR84CA1
Dodecanoate SCHEMBL4445235 0.81 CA2 (0.62) CA2FABP3NFKB1GPR84CA1
Dodecanoate SCHEMBL6433160 0.81 CA2 (0.62) CA2FABP3NFKB1GPR84CA1
SCHEMBL8332077 0.80 ALDH1A1 (0.52) CA2CYP3A4TSHRATMTDP1
Dodecanoate SCHEMBL675270 0.80 FABP3 (0.55) FABP3NFKB1GPR84CA1CES2
Octanoic Acid SCHEMBL28663794 0.80 FABP3 (0.55) FABP3NFKB1GPR84CA1CES2
Succinic Acid SCHEMBL27866447 0.80 CA2 (0.79) CA2FABP3NFKB1GPR84CA1
SCHEMBL5716632 0.79 NFKB1 (0.67) CA2FABP3NFKB1GPR84CA1

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 53 patents — showing the first 20. 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
EP-3851489-A1 MODIFIED MULTI-COMPONENT COPOLYMER, RUBBER COMPOSITION, RESIN COMPOSITION, TIRE AND RESIN PRODUCT BRIDGESTONE CORPORATION (JP) 2021-07-21 EP disclosed
US-10875937-B2 Terminal-modified conjugated diene polymer, rubber composition and rubber article BRIDGESTONE CORPORATION (JP) 2020-12-29 US disclosed
CN-109071685-B Terminal-modified conjugated diene polymer, rubber composition, and rubber article 株式会社普利司通 2020-12-01 CN disclosed
WO-2020054484-A1 MODIFIED MULTI-COMPONENT COPOLYMER, RUBBER COMPOSITION, RESIN COMPOSITION, TIRE AND RESIN PRODUCT 株式会社ブリヂストン 2020-03-19 WO disclosed
US-10550203-B2 Polymers functionalized with heterocyclic nitrile compounds BRIDGESTONE CORPORATION (JP) 2020-02-04 US disclosed
US-20190161571-A1 TERMINAL-MODIFIED CONJUGATED DIENE POLYMER, RUBBER COMPOSITION, RUBBER PRODUCT AND METHOD FOR MANUFACTURING TERMINAL-MODIFIED CONJUGATED DIENE POLYMER BRIDGESTONE CORPORATION (JP) 2019-05-30 US disclosed
US-20190153123-A1 TERMINAL-MODIFIED CONJUGATED DIENE POLYMER, RUBBER COMPOSITION AND RUBBER ARTICLE BRIDGESTONE CORPORATION (JP) 2019-05-23 US disclosed
EP-3466985-A1 TERMINALLY MODIFIED CONJUGATED DIENE POLYMER, RUBBER COMPOSITION, RUBBER PRODUCT, AND METHOD FOR PRODUCING TERMINALLY MODIFIED CONJUGATED DIENE POLYMER Bridgestone Corporation (JP) 2019-04-10 EP disclosed
EP-3456746-A1 TERMINAL-MODIFIED CONJUGATED DIENE-BASED POLYMER, RUBBER COMPOSITION, AND RUBBER ARTICLE Bridgestone Corporation (JP) 2019-03-20 EP disclosed
EP-1683832-A1 THERMOPLASTIC ELASTOMER COMPOSITION AND MOLDING THEREOF JSR Corporation (JP) 2006-07-26 EP disclosed
EP-1026181-B1 Method of producing conjugated diene polymer JSR CORP (JP) 2004-11-24 EP disclosed
US-20040147694-A1 Method of producing conjugated diene polymers with narrow molecular weight distribution and polymer produced JSR CORPORATION 2004-07-29 US disclosed
EP-0957115-B1 Method for producing conjugated diene polymers JSR CORP (JP) 2003-12-03 EP disclosed
EP-0863165-B1 Method of producing conjugated diene polymers JSR CORP (JP) 2003-06-04 EP disclosed
US-6391990-B1 Method of producing conjugated diene polymer JSR CORPORATION (JP) 2002-05-21 US disclosed
US-6255416-B1 POLYMERIZING CONJUGATED DIENE COMPOUND WITH CATALYST CONSISTING ESSENTIALLY OF COMPOUND CONTAINING RARE EARTH ELEMENT, ALUMOXANE, ORGANOALUMINUM COMPOUND, REACTION PRODUCT OF METAL HALIDE AND LEWIS BASE JSR CORPORATION (JP) 2001-07-03 US disclosed
EP-1026181-A1 Method of producing conjugated diene polymer JSR Corporation (JP) 2000-08-09 EP disclosed
EP-0957115-A1 Method for producing conjugated diene polymers JSR Corporation (JP) 1999-11-17 EP disclosed
EP-0863165-A1 Method of producing conjugated diene polymers JSR Corporation (JP) 1998-09-09 EP disclosed