SCHEMBL4981232

SCHEMBL4981232

CC(C)(CO)C1OCC2(CO1)COC(C(C)(C)CO)OC2.CN1C(C)(C)CC(O)CC1(C)C.O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
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
SCHEMBL26106159 0.86 TDP1 (0.41) TDP1
SCHEMBL26106600 0.86
SCHEMBL27038924 0.82
SCHEMBL9879415 0.81 TDP1 (0.47) TDP1
Tridecan-1-Ol SCHEMBL3410712 0.72 GPR84 (0.37) TDP1
SCHEMBL14300244 0.68
SCHEMBL686370 0.67 HMGCR (0.37) TDP1
Methacrylic Acid SCHEMBL5278189 0.66 ALDH1A1 (0.30)
SCHEMBL9186415 0.65
Succinic Acid SCHEMBL11609352 0.65 TSHR (0.36)

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-20080139734-A1 Sealing Material Composition KANEKA CORPORATION (JP) 2008-06-12 US disclosed
EP-1743928-A1 SEALING MATERIAL COMPOSITION KANEKA CORPORATION (JP) 2007-01-17 EP disclosed