SCHEMBL7774262

SCHEMBL7774262

CC/C=C/C1COC(CCC2COC(c3ccc(OC(F)(F)F)cc3)OC2)OC1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.35
RCOR1 Q9UKL0 1/20 0.35
TSHR P16473 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
SCHEMBL7774254 1.00 KDM1A (0.35) KDM1ARCOR1TSHR
SCHEMBL7774250 1.00 KDM1A (0.35) KDM1ARCOR1TSHR
SCHEMBL8888370 1.00 KDM1A (0.35) KDM1ARCOR1TSHR
SCHEMBL8888373 1.00 KDM1A (0.35) KDM1ARCOR1TSHR
SCHEMBL8887327 0.92 KDM1A (0.34) KDM1ARCOR1
SCHEMBL7781507 0.92 KDM1A (0.34) KDM1ARCOR1
SCHEMBL8887330 0.92 KDM1A (0.34) KDM1ARCOR1
SCHEMBL7781511 0.92 KDM1A (0.34) KDM1ARCOR1
SCHEMBL7781503 0.92 KDM1A (0.34) KDM1ARCOR1
SCHEMBL7781526 0.89 KDM1A (0.34) KDM1ARCOR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0732330-B1 Di-1,3-dioxane derivatives useful as liquid crystals ROLIC AG (CH) 2001-09-12 EP disclosed
US-5667721-A Liquid crystalline di-1,3-dioxane derivatives ROLIC AG (CH) 1997-09-16 US disclosed
EP-0732330-A1 Di-1,3-dioxane derivatives useful as liquid crystals F. HOFFMANN-LA ROCHE AG (CH) 1996-09-18 EP disclosed