SCHEMBL28679062

SCHEMBL28679062

O=P(O)(O)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.36
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
MMP13 P45452 1/20 0.31
LMNA P02545 1/20 0.31
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
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
SCHEMBL7028063 1.00 THRB (0.36) THRBCA1CA2MMP1MMP2
SCHEMBL26626987 1.00 THRB (0.36) THRBCA1CA2MMP1MMP2
SCHEMBL4352380 1.00 THRB (0.36) THRBCA1CA2MMP1MMP2
SCHEMBL26626988 1.00 THRB (0.36) THRBCA1CA2MMP1MMP2
SCHEMBL4480153 1.00 THRB (0.36) THRBCA1CA2MMP1MMP2
SCHEMBL31410893 1.00 THRB (0.36) THRBCA1CA2MMP1MMP2
SCHEMBL28130746 0.98 THRB (0.34) THRBCA1CA2MMP1MMP2
SCHEMBL9779095 0.98 THRB (0.32) THRBKDM4ETSHRTDP1
SCHEMBL27610649 0.90 TDP1 (0.32) KDM4ETSHRTDP1
SCHEMBL11331957 0.86 THRB (0.36) THRBCA1CA2MMP1MMP2

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-113874426-B Water-soluble film and package 株式会社可乐丽 2025-03-28 CN disclosed
CN-113874426-A Water-soluble film and package 株式会社可乐丽 2021-12-31 CN disclosed