SCHEMBL6033814

SCHEMBL6033814

C=C(OC)C1CCC(CO)CC1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
ESR2 Q92731 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
SCHEMBL7625193 0.83
SCHEMBL317002 0.83
SCHEMBL23315727 0.79 KDM1A (0.31)
SCHEMBL93544 0.76 ALDH1A1 (0.35)
Methoxymethane SCHEMBL10787753 0.75 ESR1 (0.39) ESR1CYP3A4CYP2C9ESR2
SCHEMBL3129182 0.75 ALOX15 (0.38) ESR1CYP3A4CYP2C9ESR2
SCHEMBL10886649 0.75 ALOX15 (0.38) ESR1CYP3A4CYP2C9ESR2
SCHEMBL19521458 0.75 HSD17B10 (0.36) ESR1CYP3A4CYP2C9ESR2
SCHEMBL6756040 0.75 ALOX15 (0.38) ESR1CYP3A4CYP2C9ESR2
SCHEMBL17409701 0.75 EPHX2 (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168694-B2 Ink composition, ink set, ink for inkjet recording, ink set for inkjet recording, and ink cartridge for inkjet recording FUJIFILM CORPORATION (JP) 2012-05-01 US disclosed
US-20110316926-A1 Organic Phase Change Carriers Containing Nanoparticles, Phase Change Inks Including Same and Methods for Making Same XEROX CORPORATION (US) 2011-12-29 US disclosed
US-20100116424-A1 ORGANIC PHASE CHANGE CARRIERS CONTAINING NANOPARTICLES, PHASE CHANGE INKS INCLUDING SAME AND METHODS FOR MAKING SAME XEROX CORPORATION (US) 2010-05-13 US disclosed
US-7699922-B2 Organic phase change carriers containing nanoparticles, phase change inks including same and methods for making same XEROX CORPORATION (US) 2010-04-20 US disclosed
US-7541406-B2 Phase change inks containing curable isocyanate-derived compounds XEROX CORPORATION (US) 2009-06-02 US disclosed
US-7449515-B2 Phase change inks containing compounds derived from isocyanate, unsaturated alcohol, and polyol XEROX CORPORATION (US) 2008-11-11 US disclosed