SCHEMBL5455564

SCHEMBL5455564

CC/C(C(=O)O)=C(/C(=O)O)C(C)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
GRIK1 P39086 2/20 0.38
GRIA4 P48058 1/20 0.38
GRIK3 Q13003 1/20 0.38
GRIK5 Q16478 1/20 0.38
FFAR3 O14843 1/20 0.36
TDP1 Q9NUW8 2/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
THRB P10828 1/20 0.30
FNTA P49354 1/20 0.30
FNTB P49356 1/20 0.30
PGGT1B P53609 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
SCHEMBL5798580 1.00 TP53 (0.41) TP53GRIK1GRIA4GRIK3GRIK5
SCHEMBL3516773 0.85 GRIK1 (0.38) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL10193601 0.85 GRIK1 (0.38) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL3516778 0.85 GRIK1 (0.38) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL305208 0.83 GRIK1 (0.36) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL305210 0.83 GRIK1 (0.36) GRIK1GRIA4GRIK3GRIK5FFAR3
Dimethylamine SCHEMBL3517020 0.79 GRIK1 (0.34) GRIK1GRIA4GRIK3GRIK5FFAR3
SCHEMBL5453720 0.78 FNTA (0.47) TP53TDP1ALDH1A1TSHRTHRB
SCHEMBL8169390 0.74 CA1 (0.47) THRBFNTAFNTBPGGT1B
SCHEMBL3720422 0.74 TP53 (0.60) TP53FFAR3ALDH1A1TSHR

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