SCHEMBL11857799

SCHEMBL11857799

C=C(C)C(=O)OCCOC1(OC(=O)C(=C)C)O[C@H](CO)[C@H](O)[C@H]1O

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.37
TSHR P16473 2/20 0.33
ALDH1A1 P00352 1/20 0.33
PYGB P11216 2/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
SCHEMBL671123 0.81 TSHR (0.42) TSHRPYGB
SCHEMBL4950538 0.70 PYGB (0.41) PYGB
SCHEMBL4951061 0.68 PYGB (0.40) PYGB
SCHEMBL8911639 0.66 PYGB (0.41) THRBTSHRALDH1A1PYGB
SCHEMBL2519171 0.66 PYGB (0.41) THRBTSHRALDH1A1PYGB
SCHEMBL513822 0.66 MAOB (0.44)
SCHEMBL1310354 0.66 MAOB (0.44)
SCHEMBL7870044 0.66 MAOB (0.44)
SCHEMBL300405 0.66 MAOB (0.44)
SCHEMBL15963878 0.66 MAOB (0.44)

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-3998715-A ETHOXYLATED BISPHENOL A-DIMETHACRYLATE AS CURING AGENT THE FIRESTONE TIRE & RUBBER COMPANY (US) 1976-12-21 US disclosed