SCHEMBL5455568

SCHEMBL5455568

CC/C(C(=O)O)=C(\CCO)C(=O)O

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
FFAR3 O14843 4/20 0.38
THRB P10828 1/20 0.35
PGGT1B P53609 1/20 0.35
GRIK1 P39086 1/20 0.34
GRIA4 P48058 1/20 0.34
GRIK3 Q13003 1/20 0.34
GRIK5 Q16478 1/20 0.34
HDAC3 O15379 3/20 0.33
HDAC1 Q13547 3/20 0.33
HDAC2 Q92769 3/20 0.33
HDAC8 Q9BY41 3/20 0.33
CAMK2A Q9UQM7 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
ALDH1A1 P00352 2/20 0.32
NAAA Q02083 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
SCHEMBL5455573 1.00 FNTA (0.40) FNTAFNTBFFAR3THRBPGGT1B
SCHEMBL5798582 1.00 FNTA (0.40) FNTAFNTBFFAR3THRBPGGT1B
SCHEMBL215123 0.86 FNTA (0.48) FNTAFNTBTHRBPGGT1BCAMK2A
SCHEMBL811611 0.86 FNTA (0.48) FNTAFNTBTHRBPGGT1BCAMK2A
SCHEMBL215122 0.86 FNTA (0.48) FNTAFNTBTHRBPGGT1BCAMK2A
SCHEMBL101165 0.83 FFAR3 (0.53) FNTAFNTBFFAR3THRBPGGT1B
SCHEMBL42601 0.83 FFAR3 (0.53) FNTAFNTBFFAR3THRBPGGT1B
SCHEMBL42603 0.83 FFAR3 (0.53) FNTAFNTBFFAR3THRBPGGT1B
SCHEMBL22801399 0.81 FNTA (0.52) FNTAFNTBFFAR3THRBPGGT1B
SCHEMBL5611368 0.81 FFAR3 (0.48) FNTAFNTBFFAR3THRBPGGT1B

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
WO-2006024885-A1 PROCESS FOR THE PREPARATION OF POLYISOCYANATE/POLYSILICIC ACID BASED POLYADDITION AND HYBRID RESINS USING BLOCKED POLYISO-CYANATES AND BLOCKED POLYISOCYANATES USABLE IN THE PROCESS POLINVENT FEJLESZTO, KIVITELEZO ÉS ÉRTÉKESÍTO KFT (HU) 2006-03-09 WO claimed
US-20070043205-A1 Radiation curable thiol-ene composition DSM IP ASSETS B.V. (NL) 2007-02-22 US disclosed
WO-2006024885-A1 PROCESS FOR THE PREPARATION OF POLYISOCYANATE/POLYSILICIC ACID BASED POLYADDITION AND HYBRID RESINS USING BLOCKED POLYISO-CYANATES AND BLOCKED POLYISOCYANATES USABLE IN THE PROCESS POLINVENT FEJLESZTO, KIVITELEZO ÉS ÉRTÉKESÍTO KFT (HU) 2006-03-09 WO disclosed
EP-1622963-A2 RADIATION CURABLE THIOL-ENE COMPOSITION DSM IP Assets B.V. (NL) 2006-02-08 EP disclosed
WO-2004101649-A2 RADIATION CURABLE THIOL-ENE COMPOSITION DSM IP ASSETS B.V. (NL) 2004-11-25 WO disclosed
EP-1477511-A1 Radiation curable thiol-ene composition DSM IP Assets B.V. (NL) 2004-11-17 EP disclosed