SCHEMBL9418229

SCHEMBL9418229

CC(C)(C)C(O)O.CC=C(C)C(=O)O

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.32
AKR1C3 P42330 1/20 0.32

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
SCHEMBL11666425 0.84 PTGS1 (0.37) PTGS1AKR1C3
SCHEMBL8163204 0.81 FFAR3 (0.43) PTGS1AKR1C3
SCHEMBL15042 0.81
SCHEMBL133954 0.81
SCHEMBL18814 0.81
SCHEMBL1396002 0.81 FFAR3 (0.43) PTGS1AKR1C3
SCHEMBL338643 0.81 FFAR3 (0.43) PTGS1AKR1C3
SCHEMBL871351 0.81 FFAR3 (0.43) PTGS1AKR1C3
SCHEMBL1615808 0.78
SCHEMBL9501294 0.78

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
US-5318999-A Denture base, liner or restorative, controlled curing MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-06-07 US claimed
EP-0434334-B1 Dental compositions, a method of making shaped dental articals via photoiniferter polymerization of the dental compositions, and shaped dental articles produced thereby MINNESOTA MINING & MFG (US) 1994-02-02 EP claimed
EP-0434334-A1 Dental compositions, a method of making shaped dental articals via photoiniferter polymerization of the dental compositions, and shaped dental articles produced thereby MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1991-06-26 EP claimed
CN-109863177-A The production of polymer emulsion 可泰克斯公司 2019-06-07 CN disclosed