SCHEMBL8939889

SCHEMBL8939889

C=CCOC(=O)CC(=O)OCC

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.65
MGAM O43451 1/20 0.65
SI P14410 1/20 0.65
MGAM2 Q2M2H8 1/20 0.65
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
ALDH1A1 P00352 6/20 0.43
TRPA1 O75762 1/20 0.43
MAPT P10636 3/20 0.40
CACNA1B Q00975 1/20 0.40
APBA1 Q02410 1/20 0.40
CYP3A4 P08684 1/20 0.38
NPSR1 Q6W5P4 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.37
LMNA P02545 2/20 0.37

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
Butane SCHEMBL284262 0.89 TSHR (0.60) GAAMGAMSIMGAM2TSHR
SCHEMBL57069 0.89 TSHR (0.52) GAAMGAMSIMGAM2TSHR
Ethyl Propionate SCHEMBL27896221 0.87 TSHR (0.53) GAAMGAMSIMGAM2TSHR
SCHEMBL3804106 0.87 TSHR (0.63) GAAMGAMSIMGAM2TSHR
Lithium SCHEMBL31366079 0.86 TSHR (0.50) GAAMGAMSIMGAM2TSHR
SCHEMBL8865453 0.86 TSHR (0.50) GAAMGAMSIMGAM2TSHR
SCHEMBL527458 0.84 TSHR (0.50) GAAMGAMSIMGAM2TSHR
SCHEMBL7212781 0.83 TSHR (0.76) GAAMGAMSIMGAM2TSHR
SCHEMBL28650598 0.83 TSHR (0.55) GAAMGAMSIMGAM2TSHR
SCHEMBL7083072 0.83 GAA (0.48) GAAMGAMSIMGAM2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4154914-A Process for producing acrylic rubber by copolymerizing acrylic ester and malonic acid derivative having active methylene group TOYO SEAL KOGYO KABUSHIKI KAISHA (TOYO SEAL INDUSTRIES CO., LTD.) (JP) 1979-05-15 US claimed
EP-2630116-B1 SYNTHESIS OF METHYLENE MALONATES USING RAPID RECOVERY IN THE PRESENCE OF A HEAT TRANSFER AGENT SIRRUS INC (US) 2017-09-27 EP disclosed
EP-3208287-A1 SYNTHESIS OF METHYLENE MALONATES USING RAPID RECOVERY IN THE PRESENCE OF A HEAT TRANSFER AGENT Sirrus, Inc. (US) 2017-08-23 EP disclosed
EP-1931677-B1 NOVEL PYRAZOLOPYRIMIDINES AS CYCLIN DEPENDENT KINASE INHIBITORS MERCK SHARP & DOHME (US) 2016-04-20 EP disclosed
US-8884051-B2 Synthesis of methylene malonates using rapid recovery in the presence of a heat transfer agent BIOFORMIX INC. (US) 2014-11-11 US disclosed
US-20130281580-A1 SYNTHESIS OF METHYLENE MALONATES USING RAPID RECOVERY IN THE PRESENCE OF A HEAT TRANSFER AGENT BIOFORMIX INC. (US) 2013-10-24 US disclosed
US-5548032-A REACTION PRODUCT OF FORMALDEHYDE WITH (THIO)UREA TOYO SEAL KOGYO KABUSHIKI KAISHA (JP) 1996-08-20 US disclosed
US-4154914-A Process for producing acrylic rubber by copolymerizing acrylic ester and malonic acid derivative having active methylene group TOYO SEAL KOGYO KABUSHIKI KAISHA (TOYO SEAL INDUSTRIES CO., LTD.) (JP) 1979-05-15 US disclosed