SCHEMBL27798996

SCHEMBL27798996

CC(C)NC(C)C.CCN(CC)CC.[LiH]

nearest known ligand 0.50

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL1429706 0.97 TDP1 (0.53) TDP1
N,N-Dimethylethanaminium SCHEMBL2146563 0.78 TDP1 (0.53) TDP1
Bromoethane SCHEMBL11526729 0.76 TDP1 (0.61) TDP1
Isobutane SCHEMBL28239716 0.75 CHRM2 (0.36)
SCHEMBL7565104 0.75
SCHEMBL3755489 0.75
SCHEMBL39184 0.75
SCHEMBL14065622 0.75 TDP1 (0.35) TDP1
SCHEMBL571875 0.73 TDP1 (0.47) TDP1
SCHEMBL9376579 0.73

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
CN-101939308-B Preparation method of (3s,4s)-3-hexyl-4-((R)-2-hydroxytridecyl)-oxetan-2-one and product of that method CHONGQING ZHIEN PHARMACEUTICAL CO LTD 2013-10-23 CN claimed
CN-101939308-A (3S, 4S)-preparation method of 3-hexyl-4-((R)-2-hydroxyl tridecyl)-butylene oxide ring-2-ketone and the product that utilizes this method to prepare thereof CHONGQING ZHIEN PHARMACEUTICAL CO LTD 2011-01-05 CN claimed
CN-101939308-B Preparation method of (3s,4s)-3-hexyl-4-((R)-2-hydroxytridecyl)-oxetan-2-one and product of that method CHONGQING ZHIEN PHARMACEUTICAL CO LTD 2013-10-23 CN disclosed
CN-101939308-A (3S, 4S)-preparation method of 3-hexyl-4-((R)-2-hydroxyl tridecyl)-butylene oxide ring-2-ketone and the product that utilizes this method to prepare thereof CHONGQING ZHIEN PHARMACEUTICAL CO LTD 2011-01-05 CN disclosed