SCHEMBL4587180

SCHEMBL4587180

C=C(C(=O)O)C(CCC)O[SiH](C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.34
AKR1A1 P14550 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34
DRD3 P35462 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PPARG P37231 2/20 0.31
PPARA Q07869 2/20 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
SCHEMBL4028046 0.79 CHRM1 (0.38) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL2721276 0.77 CHRM1 (0.37) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL7192903 0.76 CHRM1 (0.35) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3575191 0.76 HDAC2 (0.35) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL8503776 0.74 CHRM1 (0.34) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL15939803 0.73 CHRM1 (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL27847759 0.73 ALDH1A1 (0.39) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL15390196 0.73 CHRM1 (0.33) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL28374750 0.70 CHRM1 (0.31) CHRM1AKR1A1CHRM3HTR2AHTR2C
SCHEMBL3820321 0.69 HDAC1 (0.56) CHRM1AKR1A1CHRM3HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1802726-A4 PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF POLYMERS AUSTRALIA PTY LTD (AU) 2008-04-30 EP claimed
EP-1802726-A1 PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF Polymers Australia PTY Limited (AU) 2007-07-04 EP claimed
WO-2006024099-A1 PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF POLYMERS AUSTRALIA PTY LIMITED (AU) 2006-03-09 WO claimed
EP-1802726-A4 PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF POLYMERS AUSTRALIA PTY LTD (AU) 2008-04-30 EP disclosed
EP-1740629-A4 PHOTOCHROMIC COMPOSITIONS AND ARTICLES COMPRISING SILOXANE, ALKYLENE OR SUBSTITUTED ALKYLENE OLIGOMERS POLYMERS AUSTRALIA PTY LTD (AU) 2007-10-24 EP disclosed
EP-1802726-A1 PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF Polymers Australia PTY Limited (AU) 2007-07-04 EP disclosed
EP-1740628-A4 PHOTOCHROMIC COMPOSITIONS AND ARTICLES COMPRISING POLYETHER OLIGOMER POLYMERS AUSTRALIA PTY LTD (AU) 2007-05-30 EP disclosed
EP-1740628-A1 PHOTOCHROMIC COMPOSITIONS AND ARTICLES COMPRISING POLYETHER OLIGOMER Polymers Australia PTY Limited (AU) 2007-01-10 EP disclosed
EP-1740629-A1 PHOTOCHROMIC COMPOSITIONS AND ARTICLES COMPRISING SILOXANE, ALKYLENE OR SUBSTITUTED ALKYLENE OLIGOMERS Polymers Australia PTY Limited (AU) 2007-01-10 EP disclosed
WO-2006024099-A1 PHOTOCHROMIC COMPOUNDS COMPRISING POLYMERIC SUBSTITUENTS AND METHODS FOR PREPARATION AND USE THEREOF POLYMERS AUSTRALIA PTY LIMITED (AU) 2006-03-09 WO disclosed
WO-2005105874-A1 PHOTOCHROMIC COMPOSITIONS AND ARTICLES COMPRISING POLYETHER OLIGOMER POLYMERS AUSTRALIA PTY LIMITED (AU) 2005-11-10 WO disclosed
WO-2005105875-A1 PHOTOCHROMIC COMPOSITIONS AND ARTICLES COMPRISING SILOXANE, ALKYLENE OR SUBSTITUTED ALKYLENE OLIGOMERS POLYMERS AUSTRALIA PTY LIMITED (AU) 2005-11-10 WO disclosed