SCHEMBL11299295

SCHEMBL11299295

CC(=O)CC(C)(C)OOC(C)(C)CC(C)(C)C

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.30
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
SCHEMBL9129137 0.88 ALDH1A1 (0.35) ALDH1A1SMN1; SMN2
SCHEMBL11296511 0.81 GAA (0.34) ALDH1A1SMN1; SMN2
SCHEMBL296994 0.81 TDP1 (0.40) ALDH1A1SMN1; SMN2
SCHEMBL5362124 0.79 ALDH1A1 (0.36) ALDH1A1SMN1; SMN2
SCHEMBL11299518 0.77 ALDH1A1 (0.30) ALDH1A1SMN1; SMN2
SCHEMBL679132 0.77 TSHR (0.31) ALDH1A1
SCHEMBL11299524 0.76 TSHR (0.35) ALDH1A1
SCHEMBL11301608 0.76 MEN1 (0.30)
SCHEMBL3678704 0.74 GAA (0.33)
SCHEMBL15752983 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4289914-A FREE RADICAL POLYMERIZATION INITIATORS, CURING AGENTS FOR UNSATURATED POLYESTERS PENNWALT CORPORATION (US) 1981-09-15 US disclosed
US-4257985-A Compounds by addition of hydroperoxides to α-β-unsaturated ketones PENNWALT CORPORATION (US) 1981-03-24 US disclosed
US-4115455-A FREE RADICAL CATALYSTS PENNWALT CORPORATION (US) 1978-09-19 US disclosed