SCHEMBL10694663

SCHEMBL10694663

O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.O=C([O-])C(F)(F)C(F)(F)C(F)(F)F.[Fe+3]

nearest known ligand 0.42

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
CA1 P00915 2/20 0.32
CA2 P00918 2/20 0.32
MMP1 P03956 2/20 0.32
MMP2 P08253 2/20 0.32
MMP9 P14780 2/20 0.32
MMP8 P22894 2/20 0.32
MMP13 P45452 2/20 0.32
CA4 P22748 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
Potassium Ion SCHEMBL6269201 0.94 THRB (0.42) THRBCA1CA2MMP1MMP2
Silver SCHEMBL623539 0.94 THRB (0.42) THRBCA1CA2MMP1MMP2
SCHEMBL4580568 0.94 THRB (0.42) THRBCA1CA2MMP1MMP2
SCHEMBL19179127 0.94 THRB (0.42) THRBCA1CA2MMP1MMP2
Zinc Ion SCHEMBL4582401 0.94 THRB (0.42) THRBCA1CA2MMP1MMP2
SCHEMBL4576505 0.94 THRB (0.42) THRBCA1CA2MMP1MMP2
SCHEMBL789396 0.94 THRB (0.42) THRBCA1CA2MMP1MMP2
SCHEMBL22598032 0.94 THRB (0.42) THRBCA1CA2MMP1MMP2
Lithium Ion SCHEMBL21069099 0.94 THRB (0.42) THRBCA1CA2MMP1MMP2
SCHEMBL28573082 0.94 THRB (0.42) 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
EP-0267392-A1 The chemical synthesis of conducting polypyrrole ROCKWELL INTERNATIONAL CORPORATION (US) 1988-05-18 EP disclosed
US-4697001-A OXIDATION CAUSING POLYMERIZATION ROCKWELL INTERNATIONAL CORPORATION (US) 1987-09-29 US disclosed