SCHEMBL650868

SCHEMBL650868

CC1(C)C(O)C(C)(C)C1O.OC1(O)CCC1

nearest known ligand 0.32

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30
RECQL P46063 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
Methyl Alcohol SCHEMBL19119065 0.78
SCHEMBL270140 0.77
SCHEMBL45446 0.77
SCHEMBL268408 0.77
SCHEMBL11769146 0.77
Methyl Alcohol SCHEMBL17431230 0.73
SCHEMBL387219 0.73
Ammonia Solution, Strong SCHEMBL28060795 0.69
Methane SCHEMBL20237365 0.69
SCHEMBL3697329 0.69 CYP3A4 (0.41) CYP3A4MAPTRECQL

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
US-8119762-B2 Film(s) and/or sheet(s) comprising polyester compositions which comprise cyclobutanediol and have a certain combination of inherent viscosity and moderate glass transition temperature EASTMAN CHEMICAL COMPANY (US) 2012-02-21 US disclosed
US-20110054091-A1 FILM(S) AND/OR SHEET(S) COMPRISING POLYESTER COMPOSITIONS WHICH COMPRISE CYCLOBUTANEDIOL AND HAVE A CERTAIN COMBINATION OF INHERENT VISCOSITY AND MODERATE GLASS TRANSITION TEMPERATURE EASTMAN CHEMICAL COMPANY (US) 2011-03-03 US disclosed