SCHEMBL17599129

SCHEMBL17599129

C(OCC1CO1)C1CO1.O=C(O)OCC1(CO)CCCCC1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPK1 P28482 1/20 0.33
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
MGLL Q99685 2/20 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
SCHEMBL123580 0.83 TSHR (0.40) TP53CYP3A4TSHRALDH1A1MAPK1
SCHEMBL1357524 0.83 TSHR (0.42) TP53CYP3A4TSHRALDH1A1MAPK1
SCHEMBL15847736 0.83 USP2 (0.39) TSHRALDH1A1JAK2JAK1TYK2
Cyclohexane SCHEMBL2128316 0.81 USP2 (0.38) TSHRALDH1A1JAK2JAK1TYK2
Bicarbonate SCHEMBL17603240 0.79 TSHR (0.39) TP53CYP3A4TSHRALDH1A1MAPK1
SCHEMBL17435085 0.74 TSHR (0.44) TP53CYP3A4TSHRALDH1A1MAPK1
SCHEMBL2571589 0.72 TSHR (0.45) TP53CYP3A4TSHRALDH1A1MAPK1
SCHEMBL37089 0.72 TSHR (0.45) TP53CYP3A4TSHRALDH1A1MAPK1
SCHEMBL3273407 0.72 TSHR (0.45) TP53CYP3A4TSHRALDH1A1MAPK1
SCHEMBL1072587 0.70 TSHR (0.40) TSHRALDH1A1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2998334-B1 CURABLE RESIN WITH SIGNIFICANT LEVELS OF CYCLIC CARBONATE GROUPS, AND CYCLOCARBONATE RESIN BASED FIXING SYSTEMS, THEIR PREPARATION AND USE FISCHERWERKE GMBH & CO KG (DE) 2020-03-25 EP claimed
EP-2998334-A1 CURABLE RESIN WITH SIGNIFICANT LEVELS OF CYCLIC CARBONATE GROUPS, AND CYCLOCARBONATE RESIN BASED FIXING SYSTEMS, THEIR PREPARATION AND USE fischerwerke GmbH & Co. KG (DE) 2016-03-23 EP claimed
EP-2998334-B1 CURABLE RESIN WITH SIGNIFICANT LEVELS OF CYCLIC CARBONATE GROUPS, AND CYCLOCARBONATE RESIN BASED FIXING SYSTEMS, THEIR PREPARATION AND USE FISCHERWERKE GMBH & CO KG (DE) 2020-03-25 EP disclosed
EP-2998334-A1 CURABLE RESIN WITH SIGNIFICANT LEVELS OF CYCLIC CARBONATE GROUPS, AND CYCLOCARBONATE RESIN BASED FIXING SYSTEMS, THEIR PREPARATION AND USE fischerwerke GmbH & Co. KG (DE) 2016-03-23 EP disclosed