SCHEMBL22801425

SCHEMBL22801425

O=C(OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.37
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
SCHEMBL717931 0.98 THRB (0.33) THRB
SCHEMBL609933 0.91 THRB (0.30) THRB
SCHEMBL13894748 0.88 THRB (0.37) THRBCA1CA2
SCHEMBL22801426 0.86 THRB (0.40) THRBCA1CA2
SCHEMBL2337254 0.84 ALDH1A1 (0.38) THRBCA1CA2
SCHEMBL22460843 0.84 ALDH1A1 (0.38) THRBCA1CA2
SCHEMBL14456627 0.84 CA1 (0.35) THRBCA1CA2
SCHEMBL17676248 0.84 ALDH1A1 (0.38) THRBCA1CA2
SCHEMBL3735414 0.84 THRB (0.34) THRBCA1CA2
SCHEMBL3706716 0.84 THRB (0.34) THRBCA1CA2

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
CN-114450326-A Modified polyamine polymers for delivery of biomolecules into cells 普罗美加公司 2022-05-06 CN disclosed
US-20200399660-A1 MODIFIED POLYAMINE POLYMERS FOR DELIVERY OF BIOMOLECULES INTO CELLS PROMEGA CORPORATION 2020-12-24 US disclosed