SCHEMBL9745547

SCHEMBL9745547

CCCC[Ti](CCCC)(CCCC)O[Ti](CCCC)(CCCC)CCCC

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
LMNA P02545 1/20 0.38
THRB P10828 1/20 0.35
ADRB2 P07550 1/20 0.32
ADRB1 P08588 1/20 0.32
ADRB3 P13945 1/20 0.32
ALDH1A1 P00352 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL9745914 0.94 TSHR (0.33) TSHRLMNATHRB
SCHEMBL9746379 0.90 TSHR (0.41) TSHRLMNATHRBALDH1A1
SCHEMBL9746862 0.87
SCHEMBL9745441 0.85 TSHR (0.32) TSHRLMNATHRB
SCHEMBL9745367 0.85 TSHR (0.37) TSHRLMNATHRB
SCHEMBL9746352 0.79 TSHR (0.32) TSHRTHRB
SCHEMBL10774454 0.78 TSHR (0.35) TSHRLMNATHRBADRB2ADRB1
SCHEMBL1993616 0.67 TSHR (0.46) TSHRLMNATHRBALDH1A1TDP1
SCHEMBL129869 0.67 TSHR (0.46) TSHRLMNATHRBALDH1A1TDP1
SCHEMBL22712619 0.65 TSHR (0.35) TSHRLMNATHRBADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5100762-A Radiation-sensitive polymer and radiation-sensitive composition containing the same MITSUBISHI DENKI KABUSHIKI KAISHA (JP) 1992-03-31 US disclosed