SCHEMBL9301639

SCHEMBL9301639

C=C(C=C(C)C(=O)O)C(=O)OCC.C=C(CC)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.37
GLO1 Q04760 1/20 0.37
ALDH1A1 P00352 4/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 3/20 0.34
CYP2D6 P10635 2/20 0.34
CYP2C19 P33261 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 2/20 0.32
HSD17B10 Q99714 1/20 0.32
THRB P10828 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
SOAT1 P35610 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
MAPK1 P28482 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
SCHEMBL10385295 0.93 TDP1 (0.33) NPSR1GLO1ALDH1A1TSHRMAPT
SCHEMBL432150 0.92 NPSR1 (0.42) NPSR1GLO1ALDH1A1TSHRMAPT
Ammonia Solution, Strong SCHEMBL15128898 0.90 NPSR1 (0.41) NPSR1GLO1ALDH1A1TSHRMAPT
Methacrylic Acid SCHEMBL9069461 0.88 NPSR1 (0.40) NPSR1GLO1ALDH1A1TSHRMAPT
SCHEMBL10336736 0.87 THRB (0.44) NPSR1GLO1ALDH1A1TSHRMAPT
Acrylic Acid SCHEMBL3651329 0.85 NPSR1 (0.38) NPSR1GLO1ALDH1A1TSHRMAPT
SCHEMBL11698023 0.85 TSHR (0.44) NPSR1ALDH1A1TSHRMAPTMEN1
SCHEMBL195064 0.83 ALDH1A1 (0.47) NPSR1GLO1ALDH1A1TSHRMAPT
Acrylonitrile SCHEMBL9747659 0.81 ALDH1A1 (0.45) NPSR1GLO1ALDH1A1TSHRMAPT
Acrylic Acid Methyl Ester SCHEMBL8607329 0.80 NPSR1 (0.38) NPSR1GLO1ALDH1A1TSHRMAPT

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
US-5356740-A Radiation-sensitive compositions CIBA-GEIGY CORPORATION (US) 1994-10-18 US disclosed
US-5324804-A Photoresist material based on polystyrenes CIBA-GEIGY CORPORATION (US) 1994-06-28 US disclosed
US-4962012-A HEAT-RESISTANT, PHOTOSTABLE AND STORAGE-STABLE PHOTOINITIATORS; LOW POWER LASER IMAGING CIBA-GEIGY CORPORATION (US) 1990-10-09 US disclosed
US-4910121-A Containing ethylenically unsaturated monomer ant titanocene photoinitiator CIBA-GEIGY CORPORATION (US) 1990-03-20 US disclosed
US-4590287-A PHOTOINITIATORS CIBA-GEIGY CORPORATION (US) 1986-05-20 US disclosed
US-4225665-A WATER-SOLUBLE POLYFUNCTIONAL AZIRIDINE CROSSLINKING AGENT E. I. DU PONT DE NEMOURS AND COMPANY (US) 1980-09-30 US disclosed