SCHEMBL22973752

SCHEMBL22973752

CCOP(=O)(CCc1cc(CBr)cc(CCP(=O)(OCC)OCC)c1Oc1cc(CCP(=O)(O)O)cc(CCP(=O)(O)O)c1)OCC

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
PPARD Q03181 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
SCHEMBL31418391 0.90
SCHEMBL22973713 0.90 THRA (0.36) THRATHRBPPARD
SCHEMBL21429663 0.88 PPARD (0.30) PPARD
SCHEMBL22973754 0.84 PPARD (0.39) THRATHRBPPARD
SCHEMBL22973730 0.82 THRA (0.32) THRATHRB
SCHEMBL22952372 0.81 PPARD (0.35) PPARD
SCHEMBL21429661 0.78 PPARD (0.33) PPARD
SCHEMBL21428989 0.74 PPARD (0.35) PPARD
SCHEMBL31418408 0.74 PPARD (0.35) PPARD
SCHEMBL31418410 0.72

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
EP-3778612-A1 PHOSPHATE DERIVATIVES AND USE THEREOF Zhu, Qing (CN) 2021-02-17 EP disclosed