SCHEMBL5982706

SCHEMBL5982706

CC1=Cc2c(-c3c4ccccc4cc4ccccc34)cccc2C1[Zr](C1C(C)=Cc2c(-c3c4ccccc4cc4ccccc34)cccc21)=[Si](C)C

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.34
HTR1A P08908 1/20 0.34
HTR7 P34969 1/20 0.34
ALDH1A1 P00352 1/20 0.31
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 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
SCHEMBL6055431 0.88
Hydrochloric Acid SCHEMBL3206726 0.86
SCHEMBL27464559 0.85 CES1 (0.35) CES1HTR1AHTR7ALDH1A1CYP1A2
Hydrochloric Acid SCHEMBL339000 0.85 ALDH1A1 (0.32) ALDH1A1HPGDHSD17B10
SCHEMBL13822774 0.84 HTR1A (0.32) CES1HTR1AHTR7
SCHEMBL8575783 0.82 ALDH1A1 (0.31) ALDH1A1HPGDHSD17B10
SCHEMBL4659320 0.82 HTR1A (0.31) CES1HTR1AHTR7
SCHEMBL7934274 0.81 CNR1 (0.31) HTR1AHTR7
SCHEMBL1010160 0.80 GSTP1 (0.36) ALDH1A1CYP1A2HPGDHSD17B10
SCHEMBL5614147 0.80 KDM4E (0.38) ALDH1A1CYP1A2HPGDHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1632532-B1 SOLVENT DISPERSION OF COMPOSITE RESIN AND USES THEREOF MITSUI CHEMICALS INC (JP) 2018-12-05 EP disclosed
EP-1632532-A1 SOLVENT DISPERSION OF COMPOSITE RESIN AND USES THEREOF Mitsui Chemicals, Inc. (JP) 2006-03-08 EP disclosed