SCHEMBL236552

SCHEMBL236552

C=CC(=O)OC[SiH](OCCCC)OCCCC

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.65
HPGD P15428 1/20 0.65
ALDH1A1 P00352 5/20 0.46
CYP3A4 P08684 2/20 0.46
ATM Q13315 1/20 0.44
TP53 P04637 3/20 0.41
HIF1A Q16665 3/20 0.41
HSD17B10 Q99714 1/20 0.41
THRB P10828 4/20 0.40
HCAR2 Q8TDS4 3/20 0.40
THRA P10827 1/20 0.36
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL108962 0.89 TSHR (0.53) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL5698950 0.85 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL140103 0.83 TSHR (0.71) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL5698934 0.82 TSHR (0.69) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL107385 0.82 TSHR (0.47) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL1331857 0.79
SCHEMBL5681395 0.79 TSHR (1.00) TSHRHPGDALDH1A1CYP3A4ATM
SCHEMBL1330627 0.79
SCHEMBL15037 0.79
SCHEMBL11582291 0.79 TSHR (1.00) TSHRHPGDALDH1A1CYP3A4ATM

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
US-20240279441-A1 RUBBER COMPOSITION AND TIRE BRIDGESTONE CORPORATION (JP) 2024-08-22 US disclosed
EP-4349902-A1 RUBBER COMPOSITION AND TIRE BRIDGESTONE CORPORATION (JP) 2024-04-10 EP disclosed
US-11530318-B2 Rubber composition and pneumatic tire BRIDGESTONE CORPORATION (JP) 2022-12-20 US disclosed
WO-2022254751-A1 RUBBER COMPOSITION AND TIRE 株式会社ブリヂストン 2022-12-08 WO disclosed
EP-3725836-B1 RUBBER COMPOSITION AND PNEUMATIC TIRE BRIDGESTONE CORP (JP) 2022-08-24 EP disclosed
US-9745406-B2 Curable composition CEMEDINE CO., LTD. (JP) 2017-08-29 US disclosed
EP-2412756-B1 CURABLE COMPOSITION CEMEDINE CO LTD (JP) 2016-12-21 EP disclosed
EP-2412756-A1 CURABLE COMPOSITION CEMEDINE CO., LTD. (JP) 2012-02-01 EP disclosed
US-20120004371-A1 CURABLE COMPOSITION CEMEDINE CO., LTD. (JP) 2012-01-05 US disclosed
EP-1149866-A2 Rubber mixtures based on crosslinked rubber particles and non-crosslinked rubbers JSR Corporation (JP) 2001-10-31 EP disclosed