SCHEMBL8522133

SCHEMBL8522133

C=C(C)C(=O)OC.C=C(CO)C(=O)OCC

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.56
THRB P10828 1/20 0.43
TSHR P16473 4/20 0.41
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
MAPT P10636 2/20 0.38
GLO1 Q04760 1/20 0.37
CYP2D6 P10635 2/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
EGLN1 Q9GZT9 1/20 0.35
KDM4E B2RXH2 1/20 0.33
PKM P14618 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL25264567 0.90 ALDH1A1 (0.44) ALDH1A1THRBTSHRMGAMGAA
SCHEMBL6673497 0.88 TSHR (0.55) ALDH1A1THRBTSHRMGAMGAA
SCHEMBL1897831 0.86 ALDH1A1 (0.68) ALDH1A1THRBTSHRMGAMGAA
SCHEMBL2018843 0.86 ALDH1A1 (0.68) ALDH1A1THRBTSHRMGAMGAA
SCHEMBL39564 0.86 ALDH1A1 (0.68) ALDH1A1THRBTSHRMGAMGAA
SCHEMBL36653 0.86
Methacrylic Acid SCHEMBL2458636 0.85 ALDH1A1 (0.42) ALDH1A1THRBTSHRMGAMGAA
Ethane SCHEMBL27711930 0.84 ALDH1A1 (0.39) ALDH1A1THRBTSHRMGAMGAA
Hydrochloric Acid SCHEMBL28230911 0.82 ALDH1A1 (0.62) ALDH1A1THRBTSHRMGAMGAA
SCHEMBL2942278 0.81 ALDH1A1 (0.60) ALDH1A1THRBTSHRMGAMGAA

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
US-5952429-A A BLACK PHOTOCURABLE RESIN COMPOSITION IS OBTAINED BY MIXING UNDER HEATING A BLOCK- OR GRAFT-COPOLYMER WITH CARBON BLACK; IMPROVED PHOTOSENSITIVITY, INSULATING PROPERTY; FORMING A BLACK MATRIX PARTICULARLY IN A COLOR FILTER NIPPON SHOKUBAI CO., LTD. (JP) 1999-09-14 US disclosed
EP-0787777-A1 CARBON BLACK GRAFT POLYMER, PROCESS FOR THE PRODUCTION OF THE POLYMER AND USE THEREOF NIPPON SHOKUBAI CO., LTD. (JP) 1997-08-06 EP disclosed