SCHEMBL6561152

SCHEMBL6561152

O=C(CC(=O)C(=O)[O-])C/C1=C/C=C\CCCC1.O=C(CC(=O)C(=O)[O-])C/C1=C/C=C\CCCC1.O=C(CC(=O)C(=O)[O-])C/C1=C/C=C\CCCC1.[Rh+3]

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
TAAR1 Q96RJ0 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
POLB P06746 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
SCHEMBL28574202 0.83 ALDH1A1 (0.33) ALDH1A1HPGDTAAR1SMN1; SMN2POLB
SCHEMBL16755364 0.76 POLB (0.37) ALDH1A1HPGDTAAR1POLB
SCHEMBL16755363 0.76 POLB (0.37) ALDH1A1HPGDTAAR1POLB
SCHEMBL28574203 0.74 POLB (0.36) ALDH1A1HPGDTAAR1POLB
SCHEMBL28255697 0.68
SCHEMBL11181613 0.67
SCHEMBL11580290 0.67 FFAR1 (0.39) ALDH1A1HPGDTAAR1SMN1; SMN2
SCHEMBL31500444 0.67
SCHEMBL16526219 0.66
SCHEMBL4287984 0.65 ALDH1A1 (0.32) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1099677-B1 Process for the preparation of aldehydes by hydroformylation of olefins OXENO OLEFINCHEMIE GMBH (DE) 2004-03-24 EP disclosed
EP-1099677-A1 Process for the preparation of aldehydes by hydroformylation of olefins Oxeno Olefinchemie GmbH (DE) 2001-05-16 EP disclosed