SCHEMBL6680314

SCHEMBL6680314

O=C(O)CC(OC(=O)CC(O)C1CC1)C1CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.32
FFAR1 O14842 1/20 0.32
SMN1; SMN2 Q16637 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
SCHEMBL7233413 0.83 TSHR (0.34)
SCHEMBL8393221 0.78
SCHEMBL6677988 0.78
SCHEMBL6677999 0.76 ALOX15 (0.44) ALDH1A1SLC22A6FFAR1SMN1; SMN2
SCHEMBL25946695 0.74 ALDH1A1 (0.42) ALDH1A1FFAR1
SCHEMBL25527410 0.74 ALDH1A1 (0.42) ALDH1A1FFAR1
SCHEMBL25527407 0.72 ALDH1A1 (0.45) ALDH1A1FFAR1SMN1; SMN2
SCHEMBL25946700 0.72 ALDH1A1 (0.45) ALDH1A1FFAR1SMN1; SMN2
SCHEMBL25527281 0.71 ALDH1A1 (0.40) ALDH1A1FFAR1
SCHEMBL16877152 0.71 ALDH1A1 (0.37) ALDH1A1SLC22A6FFAR1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1261657-B1 POLY(3-CYCLOPROPYL-3-HYDROXYPROPIONATE) AND PROCESSES FOR ITS PREPARATION AND DERIVATIVES THEREOF EASTMAN CHEM CO (US) 2004-11-10 EP disclosed
US-6710206-B2 HEATING TO DEHYDROGENATE AND FORM 3-CYCLOPROPYLACRYLIC ACID; VINYLCYCLOPROPANE AND CYCLOPROPYLACETYLENE PREPARATION EASTMAN CHEMICAL COMPANY 2004-03-23 US disclosed
US-6610878-B1 Catalytic reaction of cyclopropanecarboxaldehyde and ketene; intermediates to vinylcyclopropane, cyclopropylacetylene and cyclopropylacrylic; inexpensive EASTMAN CHEMICAL COMPANY 2003-08-26 US disclosed
EP-1261657-A2 POLY(3-CYCLOPROPYL-3-HYDROXYPROPIONATE) AND PROCESSES FOR ITS PREPARATION AND DERIVATIVES THEREOF EASTMAN CHEMICAL COMPANY (US) 2002-12-04 EP disclosed
WO-2000068290-A2 POLY(3-CYCLOPROPYL-3-HYDROXYPROPIONATE) AND PROCESSES FOR ITS PREPARATION AND DERIVATIVES THEREOF EASTMAN CHEMICAL COMPANY (US) 2000-11-16 WO disclosed