SCHEMBL9747107

SCHEMBL9747107

C=C(C)C(=O)O[Ti](CC)(CC)CC

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
THRB P10828 1/20 0.42
TSHR P16473 4/20 0.41
TDP1 Q9NUW8 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
SCHEMBL9747932 0.92 ALDH1A1 (0.60) ALDH1A1THRBTSHR
SCHEMBL7927406 0.74 ALDH1A1 (0.52) ALDH1A1THRBTSHRTDP1
SCHEMBL9781145 0.73 THRB (0.44) ALDH1A1THRBTSHR
SCHEMBL8440933 0.69 ALDH1A1 (0.37) ALDH1A1THRBTSHRTDP1
Propane SCHEMBL23527365 0.67 ALDH1A1 (0.83) ALDH1A1THRBTSHRTDP1
Propane SCHEMBL6470806 0.67 ALDH1A1 (0.83) ALDH1A1THRBTSHRTDP1
SCHEMBL15030 0.67
Alcohol SCHEMBL11226174 0.67 ALDH1A1 (0.50) ALDH1A1THRBTSHRTDP1
SCHEMBL19409375 0.67 THRB (0.64) ALDH1A1THRBTSHR
Propane SCHEMBL28822763 0.67 ALDH1A1 (0.50) ALDH1A1THRBTSHRTDP1

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