SCHEMBL3279537

SCHEMBL3279537

C=C(C)C(=O)N(CCC)NCC

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.32
CA12 O43570 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL3286368 0.89 CA12 (0.34) TSHRCA12CA9
SCHEMBL3278948 0.86 TSHR (0.32) TSHR
SCHEMBL3279936 0.83 ALDH1A1 (0.31)
SCHEMBL3282446 0.83 TSHR (0.37) TSHR
SCHEMBL3280872 0.82 TSHR (0.40) TSHR
SCHEMBL3286603 0.82 TSHR (0.33) TSHRCA12CA2CA9
SCHEMBL3280301 0.80 TSHR (0.42) TSHR
SCHEMBL29283242 0.78
SCHEMBL3279923 0.76 TSHR (0.33) TSHRCA12CA9
SCHEMBL3280474 0.76 EPHX1 (0.33) TSHRCA12CA9

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-7700540-B2 Hard surface cleaning composition THE CLOROX COMPANY (US) 2010-04-20 US claimed
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US claimed
US-7700540-B2 Hard surface cleaning composition THE CLOROX COMPANY (US) 2010-04-20 US disclosed
US-20090214834-A1 Microencapsulated Material, Microencapsulated Color Material, Process for Production of the Material, Ink Composition, Ink-Jet Recording Method, and Recorded Material SEIKO EPSON CORPORATION (JP) 2009-08-27 US disclosed
EP-1905803-A1 MICROENCAPSULATED MATERIAL, MICROENCAPSULATED COLOR MATERIAL, PROCESS FOR PRODUCTION OF THE MATERIAL, INK COMPOSITION, INK-JET RECORDING METHOD, AND RECORDED MATERIAL SEIKO EPSON CORPORATION (JP) 2008-04-02 EP disclosed
US-20070099816-A1 Hard Surface Cleaning Composition THE CLOROX COMPANY 2007-05-03 US disclosed