SCHEMBL28115428

SCHEMBL28115428

C=CC(=O)OC1(CCCC)CCCCC1C

nearest known ligand 0.37

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.37
HPGD P15428 1/20 0.37
THRB P10828 2/20 0.31
THRA P10827 1/20 0.31
NAAA Q02083 2/20 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
SCHEMBL4399274 0.96 TSHR (0.38) TSHRHPGDTHRBTHRA
SCHEMBL4401684 0.87 HPGD (0.33) TSHRHPGD
SCHEMBL13262547 0.86 TSHR (0.37) TSHRHPGDTHRBNAAA
SCHEMBL30945482 0.85 TSHR (0.36) TSHRHPGDTHRBNAAA
SCHEMBL29142933 0.85 TSHR (0.30) TSHRHPGD
SCHEMBL4406146 0.84 TSHR (0.36) TSHRHPGD
SCHEMBL4406135 0.83 TSHR (0.35) TSHRHPGD
Formic Acid SCHEMBL27677345 0.82
SCHEMBL13713861 0.81 TSHR (0.32) TSHRHPGD
SCHEMBL10083141 0.81 HPGD (0.33) TSHRHPGD

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
CN-104254581-B Comprise the cross-linkable composition of Photobase generator 3M创新有限公司 2016-12-14 CN disclosed