SCHEMBL9747932

SCHEMBL9747932

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

nearest known ligand 0.60

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.60
TSHR P16473 3/20 0.39
THRB P10828 1/20 0.37

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
SCHEMBL9747107 0.92 ALDH1A1 (0.44) ALDH1A1TSHRTHRB
Propane SCHEMBL23527365 0.80 ALDH1A1 (0.83) ALDH1A1TSHRTHRB
Propane SCHEMBL6470806 0.80 ALDH1A1 (0.83) ALDH1A1TSHRTHRB
Butane SCHEMBL7941631 0.78 ALDH1A1 (0.79) ALDH1A1TSHRTHRB
Alcohol SCHEMBL9723847 0.78 ALDH1A1 (0.79) ALDH1A1TSHRTHRB
SCHEMBL10636466 0.78
SCHEMBL4390490 0.78 ALDH1A1 (1.00) ALDH1A1TSHRTHRB
SCHEMBL1849 0.78
SCHEMBL27466495 0.78 ALDH1A1 (1.00) ALDH1A1TSHRTHRB
Ethylamine SCHEMBL29242113 0.76 ALDH1A1 (0.75) ALDH1A1TSHRTHRB

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