SCHEMBL5679366

SCHEMBL5679366

C=C(C)C(=O)[CH]CN(CC)CC

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CHRM2 P08172 1/20 0.32
CHRM4 P08173 1/20 0.32
CHRM5 P08912 1/20 0.32
CHRM1 P11229 1/20 0.32
CHRM3 P20309 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
SCHEMBL6635489 0.77 TDP1 (0.32) ALDH1A1
SCHEMBL49112 0.74
Methacrylic Acid SCHEMBL31053052 0.72 CHRM2 (0.31) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL6751741 0.71
SCHEMBL4705286 0.70 HPGD (0.32) CHRM2CHRM4CHRM5CHRM1CHRM3
SCHEMBL4535974 0.70
SCHEMBL7607573 0.69
Methacrylic Acid SCHEMBL1146682 0.69 CHRM2 (0.38) ALDH1A1CHRM2CHRM4CHRM5CHRM1
SCHEMBL8471995 0.68 ALDH1A1 (0.34) ALDH1A1
Methacrylic Acid SCHEMBL8981948 0.68 KDM4E (0.37) ALDH1A1CHRM2CHRM4CHRM5CHRM1

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
EP-1243611-B1 Composited particles and aqueous dispersions for chemical mechanical polishing JSR CORP (JP) 2006-02-08 EP disclosed
EP-1104778-B1 Method of production of composited particle for chemical mechanical polishing JSR CORP (JP) 2004-11-03 EP disclosed
US-6582761-B1 Condensation and coupling of organometallic and/or organosilicon compound JSR CORPORATION (JP) 2003-06-24 US disclosed
EP-1243611-A1 Composited particles and aqueous dispersions for chemical mechanical polishing JSR Corporation (JP) 2002-09-25 EP disclosed
EP-1104778-A2 Method of production of composited particle for chemical mechanical polishing JSR Corporation (JP) 2001-06-06 EP disclosed
US-5998091-A COPOLYMER OF A MONOFUNCTIONAL MACROMONOMER HAVING A PARTICULAR POLYMERIZABLE DOUBLE BOND-CONTAINING GROUP SITUATED AT ONLY ONE END OF THE MAIN CHAIN, A QUATERNARY AMMONIUM SALT AND AN AMIDE FUJI PHOTO FILM CO., LTD. (JP) 1999-12-07 US disclosed