SCHEMBL900818

SCHEMBL900818

CCCCOCCO[Ti](=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
CYP3A4 P08684 2/20 0.47
MAPT P10636 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
HTT P42858 1/20 0.43
KMT2A Q03164 1/20 0.43
ALDH1A1 P00352 1/20 0.37
RARB P10826 3/20 0.37
HPGD P15428 2/20 0.36
CES2 O00748 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ATM Q13315 1/20 0.34
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
RARA P10276 1/20 0.32
HSD17B10 Q99714 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
SCHEMBL5605108 0.92 HTT (0.55) TSHRCYP3A4MAPTMEN1THRB
SCHEMBL11103265 0.92 HTT (0.55) TSHRCYP3A4MAPTMEN1THRB
SCHEMBL258085 0.86 HSD17B10 (0.34) TSHRCYP3A4MAPTMEN1THRB
SCHEMBL123689 0.86
SCHEMBL4665238 0.84 ALDH1A1 (0.41) TSHRCYP3A4ALDH1A1HPGDATM
SCHEMBL19666742 0.82 ALDH1A1 (0.43) TSHRTHRBALDH1A1
Ethylene SCHEMBL9396402 0.82 TSHR (0.43) TSHRCYP3A4ALDH1A1HPGDATM
SCHEMBL258222 0.79
SCHEMBL1502760 0.79
SCHEMBL6229650 0.77 LPAR3 (0.45) TSHRCYP3A4MAPTMEN1THRB

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
EP-2622021-B1 METHOD OF PRODUCING A LAYER OF A VULCANIZED SILICONE RUBBER COMPOSITION HAVING AN IMPROVED ADHESION TO THE SUBSTRATE SURFACE ABB RESEARCH LTD (CH) 2018-01-10 EP claimed
US-9764353-B2 Method of producing a layer of a vulcanized silicone rubber composition having an improved adhesion to the substrate surface ABB RESEARCH LTD. (CH) 2017-09-19 US claimed
US-20130288062-A1 METHOD OF PRODUCING A LAYER OF A VULCANIZED SILICONE RUBBER COMPOSITION HAVING AN IMPROVED ADHESION TO THE SUBSTRATE SURFACE HITACHI ENERGY LTD (CH) 2013-10-31 US claimed
EP-2622021-A1 METHOD OF PRODUCING A LAYER OF A VULCANIZED SILICONE RUBBER COMPOSITION HAVING AN IMPROVED ADHESION TO THE SUBSTRATE SURFACE ABB Research Ltd. (CH) 2013-08-07 EP claimed
WO-2012041674-A1 METHOD OF PRODUCING A LAYER OF A VULCANIZED SILICONE RUBBER COMPOSITION HAVING AN IMPROVED ADHESION TO THE SUBSTRATE SURFACE ABB RESEARCH LTD (CH) 2012-04-05 WO claimed
EP-2622021-B1 METHOD OF PRODUCING A LAYER OF A VULCANIZED SILICONE RUBBER COMPOSITION HAVING AN IMPROVED ADHESION TO THE SUBSTRATE SURFACE ABB RESEARCH LTD (CH) 2018-01-10 EP disclosed
US-9764353-B2 Method of producing a layer of a vulcanized silicone rubber composition having an improved adhesion to the substrate surface ABB RESEARCH LTD. (CH) 2017-09-19 US disclosed
US-20130288062-A1 METHOD OF PRODUCING A LAYER OF A VULCANIZED SILICONE RUBBER COMPOSITION HAVING AN IMPROVED ADHESION TO THE SUBSTRATE SURFACE HITACHI ENERGY LTD (CH) 2013-10-31 US disclosed
EP-2622021-A1 METHOD OF PRODUCING A LAYER OF A VULCANIZED SILICONE RUBBER COMPOSITION HAVING AN IMPROVED ADHESION TO THE SUBSTRATE SURFACE ABB Research Ltd. (CH) 2013-08-07 EP disclosed
WO-2012041674-A1 METHOD OF PRODUCING A LAYER OF A VULCANIZED SILICONE RUBBER COMPOSITION HAVING AN IMPROVED ADHESION TO THE SUBSTRATE SURFACE ABB RESEARCH LTD (CH) 2012-04-05 WO disclosed