SCHEMBL2913010

SCHEMBL2913010

CCC1(CC=O)CCC(C2CCCCC2)CC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 2/20 0.32
ADH1C P00326 1/20 0.32

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
SCHEMBL2913012 1.00 ADH1A (0.32) ADH1AADH1C
SCHEMBL29137221 0.81
SCHEMBL1843862 0.80 ALDH1A1 (0.30)
SCHEMBL11946154 0.77
SCHEMBL28761245 0.75 ALDH1A1 (0.33)
SCHEMBL29137308 0.73 CYP1A2 (0.32)
SCHEMBL28404334 0.70 CYP1A2 (0.36)
Succinic Acid SCHEMBL28000015 0.70 CYP1A2 (0.37)
SCHEMBL28761260 0.70 ALDH1A1 (0.36)
SCHEMBL4806025 0.69 ALDH1A1 (0.32)

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
EP-1640433-B1 CHROMAN DERIVATIVE AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE COMPOUND DAINIPPON INK & CHEMICALS (JP) 2010-08-25 EP disclosed
US-7226644-B2 Chroman derivative and liquid-crystal composition containing the compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2007-06-05 US disclosed
US-20060163536-A1 Chroman dervative and liquid-crystal composition containing the compound DAINIPPON INK AND CHEMICALS, INC. (JP) 2006-07-27 US disclosed
EP-1640433-A1 CHROMAN DERIVATIVE AND LIQUID-CRYSTAL COMPOSITION CONTAINING THE COMPOUND Dainippon Ink and Chemicals, Incorporated (JP) 2006-03-29 EP disclosed