SCHEMBL28007403

SCHEMBL28007403

CC1(C)CC(OC(=O)CC(C(=O)O)C(C(=O)O)C(=O)O)CC(C)(C)N1

nearest known ligand 0.44

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
HTT P42858 1/20 0.35
TSHR P16473 1/20 0.31
POLB P06746 1/20 0.31
NPC1L1 Q9UHC9 1/20 0.31

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
SCHEMBL23803705 0.92 GAA (0.48) GAAHTTTSHRPOLBNPC1L1
SCHEMBL5812600 0.88 GAA (0.44) GAAHTTTSHRPOLBNPC1L1
SCHEMBL29738653 0.87 GAA (0.43) GAAHTTTSHRPOLBNPC1L1
SCHEMBL23803704 0.83 GAA (0.41) GAAHTT
SCHEMBL30792 0.83 GAA (0.44) GAAHTTTSHRPOLBNPC1L1
SCHEMBL22078977 0.83 GAA (0.44) GAAHTTTSHRPOLBNPC1L1
SCHEMBL19648617 0.83 GAA (0.44) GAAHTTTSHRPOLBNPC1L1
SCHEMBL20428960 0.83 GAA (0.44) GAAHTTTSHRPOLBNPC1L1
SCHEMBL29625951 0.83 GAA (0.43) GAAHTT
SCHEMBL10336165 0.82 GAA (0.41) GAAHTT

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
CN-103270086-B Polyamide polymer and method for producing same, resin composition, molded body, fiber, film, and porous film FUJIFILM CORP. (JP) 2015-09-02 CN disclosed
CN-103261266-B Polyester polymer, resin composition, molded article, and film FUJIFILM CORP 2015-03-11 CN disclosed