SCHEMBL6266348

SCHEMBL6266348

C=CC(=O)OCC/C=C(\C)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.48
HPGD P15428 1/20 0.48
ALDH1A1 P00352 5/20 0.48
TP53 P04637 3/20 0.48
HIF1A Q16665 3/20 0.48
CYP3A4 P08684 2/20 0.48
HSD17B10 Q99714 1/20 0.48
THRB P10828 2/20 0.41
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CD81 P60033 1/20 0.33
HCAR2 Q8TDS4 3/20 0.32
ALOX15 P16050 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
ATM Q13315 1/20 0.31
PPARG P37231 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
SCHEMBL3793027 1.00 TSHR (0.48) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28544460 0.89 TSHR (0.55) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL20553764 0.88 TSHR (0.58) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL4606590 0.86 TSHR (0.61) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL15399721 0.85 HCAR2 (0.47) ALDH1A1CD81HCAR2ALOX15ATM
SCHEMBL11029241 0.84 TSHR (0.49) TSHRHPGDALDH1A1TP53HIF1A
Potassium Ion SCHEMBL9117014 0.84 TSHR (0.47) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL28007306 0.82 TSHR (0.46) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8382803 0.81 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A
SCHEMBL8641969 0.81 TSHR (0.54) TSHRHPGDALDH1A1TP53HIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3782599-B1 DENTAL POLYMERIZABLE COMPOSITION BASED ON CONDENSED SILANES VOCO GMBH (DE) 2025-09-17 EP disclosed
EP-3782599-A1 DENTAL POLYMERIZABLE COMPOSITION BASED ON CONDENSED SILANES VOCO GmbH (DE) 2021-02-24 EP disclosed
EP-1022012-B1 Polysiloxane based dental materials IVOCLAR VIVADENT AG (LI) 2005-11-23 EP disclosed
US-6569917-B1 Crosslinking IVOCLAR AG (LI) 2003-05-27 US disclosed
EP-1022012-A2 Polysiloxane based dental materials IVOCLAR AG (LI) 2000-07-26 EP disclosed