SCHEMBL4375289

SCHEMBL4375289

C=C(CC(CC)CCCC)C(=O)O.CC=C(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.41
CA2 P00918 4/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 4/20 0.36
TDP1 Q9NUW8 2/20 0.36
ATM Q13315 1/20 0.36
MAPK1 P28482 1/20 0.36
RECQL P46063 1/20 0.34
TET2 Q6N021 3/20 0.33
TET3 O43151 1/20 0.33
TET1 Q8NFU7 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRIK1 P39086 1/20 0.33
GRIK2 Q13002 1/20 0.33
GRM1 Q13255 1/20 0.33
GRM2 Q14416 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
SCHEMBL10604419 1.00 TSHR (0.41) TSHRCA2ALDH1A1CYP3A4TDP1
SCHEMBL17477346 0.94 CA2 (0.39) TSHRCA2ALDH1A1CYP3A4TDP1
SCHEMBL17477349 0.94 CA2 (0.39) TSHRCA2ALDH1A1CYP3A4TDP1
Acrylic Acid SCHEMBL3790640 0.94 TSHR (0.43) TSHRCA2ALDH1A1CYP3A4TDP1
SCHEMBL20609791 0.89 CA2 (0.47) TSHRCA2ALDH1A1CYP3A4TDP1
SCHEMBL22081 0.89 CA2 (0.47) TSHRCA2ALDH1A1CYP3A4TDP1
Methacrylic Acid SCHEMBL9065134 0.87 CA2 (0.43) TSHRCA2ALDH1A1CYP3A4TDP1
Ethylene SCHEMBL1759446 0.87 CA2 (0.46) TSHRCA2ALDH1A1CYP3A4TDP1
SCHEMBL7636501 0.87 TSHR (0.38) TSHRCA2ALDH1A1CYP3A4TDP1
Styrene SCHEMBL6342794 0.87 ALDH1A1 (0.38) TSHRCA2ALDH1A1CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0899281-B1 storage stable silane modified core-shell copolymers WACKER CHEMIE GMBH (DE) 2000-06-28 EP claimed
EP-0899281-A1 Storage stable silan modified Core-Shell copolymers Wacker-Chemie GmbH (DE) 1999-03-03 EP claimed
US-8354359-B2 Heat-sensitive adhesive agent and heat-sensitive adhesive sheet RICOH COMPANY, LTD. (JP) 2013-01-15 US disclosed
US-20090297831-A1 Printing plate material KONICA MINOLTA MEDICAL & GRAPHIC, INC. (JP) 2009-12-03 US disclosed
US-20080176012-A1 Heat-sensitive adhesive agent and heat-sensitive adhesive sheet RICOH COMPANY, LTD. (JP) 2008-07-24 US disclosed
EP-1897925-A1 Heat-sensitive adhesive agent and heat-sensitive adhesive sheet Ricoh Company, Ltd. (JP) 2008-03-12 EP disclosed
EP-0899281-B1 storage stable silane modified core-shell copolymers WACKER CHEMIE GMBH (DE) 2000-06-28 EP disclosed
EP-0899281-A1 Storage stable silan modified Core-Shell copolymers Wacker-Chemie GmbH (DE) 1999-03-03 EP disclosed
EP-0100508-B1 THERMOSETTING MIXTURES HAVING AN EXTENDED STORAGE LIFE CONSISTING OF POLYISOCYANATE AND COMPOUNDS CAPABLE OF REACTING WITH ISOCYANATE GROUPS, PROCESS FOR THEIR PREPARATION, AND THEIR USE BASF Lacke + Farben AG (DE) 1989-06-21 EP disclosed
US-4072020-A AGGREGATING SANDS; FLOODING WITH POLYMER EMULSION CONTAINING STABILIZER REVERTEX (SOUTH AFRICA) (PROPRIETARY) LIMITED (ZA) 1978-02-07 US disclosed