SCHEMBL22202025

SCHEMBL22202025

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
FFAR3 O14843 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
THRB P10828 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 2/20 0.32
TP53 P04637 1/20 0.32
ACACB O00763 1/20 0.31
ACACA Q13085 1/20 0.31
MAPT P10636 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
HIF1A Q16665 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31

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
SCHEMBL22202108 0.84 TSHR (0.31) ALDH1A1TSHRACACBACACACYP2D6
SCHEMBL11425472 0.83 ALDH1A1 (0.33) ALDH1A1FFAR3MEN1CYP1A2THRB
SCHEMBL2510899 0.81 ALDH1A1 (0.36) ALDH1A1FFAR3MEN1CYP1A2THRB
SCHEMBL3700078 0.81 ALDH1A1 (0.36) ALDH1A1FFAR3MEN1CYP1A2THRB
SCHEMBL9251690 0.79 CPT2 (0.41) ALDH1A1FFAR3MEN1CYP1A2THRB
SCHEMBL4951671 0.79 CPT2 (0.41) ALDH1A1FFAR3MEN1CYP1A2THRB
SCHEMBL2303259 0.78 ALDH1A1 (0.33) ALDH1A1FFAR3MEN1CYP1A2THRB
SCHEMBL28891552 0.76 FFAR3 (0.33) ALDH1A1FFAR3MEN1CYP1A2THRB
SCHEMBL8725998 0.76 ALDH1A1 (0.32) ALDH1A1FFAR3MEN1CYP1A2THRB
SCHEMBL11417664 0.75 ALDH1A1 (0.33) ALDH1A1MEN1CYP1A2THRBKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230320459-A1 DEBONDABLE ADHESIVES AND USES THEREOF WARNER BABCOCK INSTITUTE FOR GREEN CHEMISTRY, LLC 2023-10-12 US disclosed
US-11717053-B2 Debondable adhesives and uses thereof NIKE, INC. (US) 2023-08-08 US disclosed
EP-3568447-B3 DEBONDABLE ADHESIVES AND USES THEREOF NIKE INNOVATE CV (US) 2021-05-19 EP disclosed
US-20210037916-A1 DEBONDABLE ADHESIVES AND USES THEREOF NIKE, INC. 2021-02-11 US disclosed
EP-3744803-A1 DEBONDABLE ADHESIVES AND USES THEREOF NIKE Innovate C.V. (US) 2020-12-02 EP disclosed
US-10827799-B2 Debondable adhesives and uses thereof NIKE, INC. (US) 2020-11-10 US disclosed
EP-3568447-B1 DEBONDABLE ADHESIVES AND USES THEREOF NIKE INNOVATE CV (US) 2020-07-08 EP disclosed