SCHEMBL8574669

SCHEMBL8574669

CCCCC(C)(C(=O)O)C(C)O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.41
ACACA Q13085 1/20 0.41
GPR84 Q9NQS5 7/20 0.41
FFAR1 O14842 2/20 0.41
CA2 P00918 1/20 0.38
MAPK1 P28482 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
CA1 P00915 1/20 0.36
MAPT P10636 1/20 0.35
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35

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
SCHEMBL8570869 0.87 ACACB (0.35) ACACBACACAGPR84CA2MAPK1
SCHEMBL11139044 0.85 CA2 (0.39) ACACBACACAGPR84FFAR1CA2
SCHEMBL1003215 0.85 ACACB (0.42) ACACBACACAGPR84FFAR1CA2
SCHEMBL2834551 0.79 GRIK1 (0.43) ACACBACACAGPR84FFAR1CA2
SCHEMBL14957569 0.79 CA2 (0.34) ACACBACACAGPR84FFAR1CA2
SCHEMBL28594627 0.78 ACACB (0.35) ACACBACACA
SCHEMBL599201 0.78 TSHR (0.35) ACACBACACA
SCHEMBL8567184 0.78 TSHR (0.35) ACACBACACA
SCHEMBL29167351 0.78 ACE2 (0.44) ACACBACACAGPR84FFAR1CA2
SCHEMBL28709995 0.76 ACE2 (0.39) ACACBACACAGPR84FFAR1ACE2

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
EP-3728487-B1 METHOD OF REMOVING POLYMERIC MATERIAL COMPRISING HETEROATOMS FROM A SURFACE USING COMPOSITIONS INCLUDING A KETO-ESTER COMPOUND FOURTH PRINCIPLE LLC (US) 2025-07-02 EP disclosed
US-20200377823-A1 COMPOSITIONS INCLUDING KETO-ESTER COMPOUNDS AND METHODS OF USING THE SAME TALK ABOUT IT SOLUTIONS 2020-12-03 US disclosed
EP-3728487-A2 COMPOSITIONS INCLUDING KETO-ESTER COMPOUNDS AND METHODS OF USING THE SAME Fourth Principle, LLC. (US) 2020-10-28 EP disclosed
US-5830936-A THERMAL STABILIZERS FOR POLYOLEFINS AND ENGINEERING PLASTICS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-11-03 US disclosed