SCHEMBL28504236

SCHEMBL28504236

C=CC(=O)OC(C)CCCC(COP(=O)(O)O)[N+](C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ENPP2 Q13822 4/20 0.30
PGK1 P00558 1/20 0.30
PGK2 P07205 1/20 0.30
LPAR3 Q9UBY5 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
SCHEMBL28639879 0.97 TSHR (0.33) TSHRENPP2PGK1PGK2LPAR3
SCHEMBL28652607 0.89 LPAR3 (0.36) LPAR3
SCHEMBL28925243 0.89 LPAR2 (0.33) LPAR3
SCHEMBL28874085 0.88 TSHR (0.32) TSHRENPP2LPAR3
SCHEMBL28637010 0.86 LPAR3 (0.36) LPAR3
SCHEMBL28632853 0.86 LPAR2 (0.33) LPAR3
SCHEMBL3715702 0.85 TSHR (0.36) TSHRPGK1PGK2
SCHEMBL28874070 0.85 TSHR (0.32) TSHRENPP2LPAR3
SCHEMBL28874087 0.83 SGPL1 (0.34) TSHRENPP2LPAR3
SCHEMBL28874072 0.82 SGPL1 (0.36) TSHRENPP2LPAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115120510-A Agent for hair deformation treatment, set for hair deformation treatment, and method for hair deformation treatment 株式会社资生堂 2022-09-30 CN disclosed
CN-108700580-B Additive, surface treatment agent, surface-modified latex particle, method for producing surface-modified latex particle, reagent for latex coagulation reaction, kit, and method for detecting target substance JSR株式会社 2021-12-14 CN disclosed
CN-108463493-B Polymeric substrate having a surface with reduced biomolecule adhesion and thermoplastic articles of such substrate SIO2医药产品公司 2021-10-15 CN disclosed
CN-107249652-B Method for manufacturing medical device and medical device JSR株式会社 2021-01-12 CN disclosed