SCHEMBL28366820

SCHEMBL28366820

CCCCCCC(CC)C(=O)[O-].CCCCCCC(CC)C(=O)[O-].CCCCCCC(CC)C(=O)[O-].[Nd+3]

nearest known ligand 0.77

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 7/20 0.77
▸ CA1 P00915 6/20 0.55
▸ NFKB1 P19838 3/20 0.52
▸ CYP3A4 P08684 2/20 0.52
▸ TSHR P16473 2/20 0.52
▸ NPSR1 Q6W5P4 2/20 0.52
▸ MAPK1 P28482 1/20 0.52
▸ GPR84 Q9NQS5 4/20 0.47
▸ GRIK1 P39086 1/20 0.46
▸ GRIK2 Q13002 1/20 0.46
▸ FFAR1 O14842 1/20 0.45
▸ MAPT P10636 1/20 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
SCHEMBL28957154 1.00 CA2 (0.77) CA2CA1NFKB1CYP3A4TSHR
SCHEMBL28396987 0.98 CA2 (0.80) CA2CA1NFKB1CYP3A4TSHR
Potassium Ion SCHEMBL15821222 0.96 CA2 (0.77) CA2CA1NFKB1CYP3A4TSHR
SCHEMBL22772366 0.96 CA2 (0.77) CA2CA1NFKB1CYP3A4TSHR
Lithium Ion SCHEMBL22772374 0.96 CA2 (0.77) CA2CA1NFKB1CYP3A4TSHR
SCHEMBL5057190 0.96 CA2 (0.77) CA2CA1NFKB1CYP3A4TSHR
SCHEMBL10944798 0.96 CA2 (0.77) CA2CA1NFKB1CYP3A4TSHR
SCHEMBL22772375 0.96 CA2 (0.77) CA2CA1NFKB1CYP3A4TSHR
SCHEMBL3839235 0.96 CA2 (0.84) CA2CA1NFKB1CYP3A4TSHR
Potassium Ion SCHEMBL28483811 0.96 CA2 (0.77) CA2CA1NFKB1CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119371582-A Polybutadiene composite rubber and preparation method thereof, rubber composition and application thereof 中国石油化工股份有限公司 2025-01-28 — — CN claimed
CN-108929396-B Rare earth metal catalyst system and method for preparing high cis conjugated diene polymer 北京化工大学 2020-07-28 — — CN claimed
CN-119371582-A Polybutadiene composite rubber and preparation method thereof, rubber composition and application thereof 中国石油化工股份有限公司 2025-01-28 — — CN disclosed
CN-110869398-B Method for producing conjugated diene polymer and apparatus for producing conjugated diene polymer 株式会社LG化学 2022-07-26 — — CN disclosed
CN-108929396-B Rare earth metal catalyst system and method for preparing high cis conjugated diene polymer 北京化工大学 2020-07-28 — — CN disclosed
CN-108250371-B Bonding type polymer/silicon dioxide hybrid material and preparation method thereof 北京化工大学 2020-06-02 — — CN disclosed
CN-108250327-B Functionalized polymer containing silicon and hydroxyl at chain end, preparation method thereof and branched polymer 北京化工大学 2020-04-14 — — CN disclosed
CN-110869398-A Method for producing conjugated diene polymer and apparatus for producing conjugated diene polymer 株式会社LG化学 2020-03-06 — — CN disclosed
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