SCHEMBL18154865

SCHEMBL18154865

CC1CN1CCC(=O)O.CC1CN1CCC(=O)O.CC1CN1CCC(=O)O.CC1CN1CCC(=O)O.OCC(CO)(CO)CO

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
THRB P10828 6/20 0.35
THRA P10827 1/20 0.35
CYP1A2 P05177 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
MAPK1 P28482 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PKM P14618 1/20 0.33
SLC6A9 P48067 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
GLA P06280 1/20 0.32
SLC29A1 Q99808 1/20 0.32
PDK1 Q15118 1/20 0.32
PDK2 Q15119 1/20 0.32
PDK3 Q15120 1/20 0.32
PDK4 Q16654 1/20 0.32

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
SCHEMBL1535860 1.00 THRB (0.35) THRBTHRACYP1A2SMN1; SMN2HRH3
SCHEMBL30190455 0.93 THRB (0.36) THRBTHRAHRH3MAPK1ALDH1A1
SCHEMBL181262 0.93 THRB (0.36) THRBTHRAHRH3MAPK1ALDH1A1
SCHEMBL2704549 0.90
SCHEMBL673452 0.89 THRB (0.33) THRBTHRACYP1A2SMN1; SMN2HRH3
Ethylene Glycol SCHEMBL672311 0.88 THRB (0.36) THRBTHRACYP1A2HRH3ALDH1A1
Aziridine SCHEMBL11905310 0.87 THRB (0.33) THRBTHRACYP1A2ALDH1A1
Propane SCHEMBL1998876 0.86 THRB (0.40) THRBTHRACYP1A2HRH3ALDH1A1
SCHEMBL5532392 0.83 THRB (0.37) THRBTHRACYP1A2HRH3ALDH1A1
SCHEMBL19085520 0.82 CYP1A2 (0.45) CYP1A2SMN1; SMN2HRH3MAPK1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3757094-A1 AMIDINE CATALYST FOR CURABLE COMPOSITIONS SIKA TECHNOLOGY AG (CH) 2020-12-30 EP disclosed
EP-3283550-B1 CATALYST CONTAINING AMIDINE GROUPS SIKA TECH AG (CH) 2020-12-16 EP disclosed
EP-3310763-B1 AMIDINE CATALYST FOR CURABLE COMPOSITIONS SIKA TECH AG (CH) 2020-11-18 EP disclosed
EP-3310763-A1 AMIDINE CATALYST FOR CURABLE COMPOSITIONS Sika Technology AG (CH) 2018-04-25 EP disclosed
EP-3283550-A1 AMIDINE-GROUP CONTAINING CATALYST Sika Technology AG (CH) 2018-02-21 EP disclosed
WO-2016207156-A1 AMIDINE CATALYST FOR CURABLE COMPOSITIONS SIKA TECHNOLOGY AG (CH) 2016-12-29 WO disclosed
WO-2016166336-A1 AMIDINE-GROUP CONTAINING CATALYST SIKA TECHNOLOGY AG (CH) 2016-10-20 WO disclosed