SCHEMBL28034173

SCHEMBL28034173

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

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 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
SCHEMBL28180714 0.98
SCHEMBL186392 0.76
SCHEMBL28138659 0.75
SCHEMBL27558426 0.75
SCHEMBL5034140 0.75
SCHEMBL181359 0.74 ALDH1A1 (0.37) TSHRALDH1A1
Ethylene SCHEMBL28016869 0.74 ALDH1A1 (0.37) TSHRALDH1A1
SCHEMBL10823143 0.73 ALDH1A1 (0.36) TSHRALDH1A1
SCHEMBL29255972 0.73 CA2 (0.39) TSHRALDH1A1
SCHEMBL10823142 0.73 ALDH1A1 (0.36) TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105408395-A Bis(sulfonyl)alkanol-containing polythioethers, methods of synthesis, and compositions thereof PRC DESOTO INT INC 2016-03-16 CN disclosed
CN-105143312-A Sulfone-containing polythioethers, compositions thereof, and methods of synthesis PRC DESOTO INT INC 2015-12-09 CN disclosed
CN-103502316-B multifunctional sulfur-containing polymers, compositions and methods of use thereof PRC-DESOTO INTERNATIONAL, INC. (US) 2015-09-02 CN disclosed