SCHEMBL9640599

SCHEMBL9640599

O=C(O)CNC(=O)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 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.50
CA1 P00915 12/20 0.44
CA2 P00918 12/20 0.44
STS P08842 1/20 0.40
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35

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
SCHEMBL31590003 1.00 THRB (0.50) THRBCA1CA2STSALDH1A1
SCHEMBL31590192 0.98 THRB (0.46) THRBCA1CA2STSALDH1A1
SCHEMBL31589844 0.92 ALDH1A1 (0.39) THRBCA1CA2STSALDH1A1
SCHEMBL19170051 0.83 EGLN1 (0.37) THRBALDH1A1
SCHEMBL2804137 0.83 EGLN1 (0.39) ALDH1A1
SCHEMBL8144274 0.78 CA2 (0.45) THRBCA1CA2STSALDH1A1
SCHEMBL30489953 0.78 THRB (0.46) THRBCA1CA2STSALDH1A1
SCHEMBL30489949 0.78 THRB (0.46) THRBCA1CA2STSALDH1A1
SCHEMBL28087284 0.78 THRB (0.46) THRBCA1CA2STSALDH1A1
SCHEMBL30985235 0.76 CA3 (0.52) THRBCA1CA2STSALDH1A1

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4816522-A ADHESIVES, ZIRCONATE COMPOUNDS KENRICH PETROCHEMICALS (US) 1989-03-28 US claimed
CN-120040311-A Synthesis method and application of perfluoroalkyl chain modified amino acid derivative 中国药科大学 2025-05-27 CN disclosed
CN-116626185-A Method for detecting perfluoro and polyfluoro compounds in cerebrospinal fluid 华南农业大学 2023-08-22 CN disclosed
EP-0270271-B1 BONDING OF HALOGENATED ORGANIC COMPOUNDS KENRICH PETROCHEMICALS, INC. (US) 1992-08-19 EP disclosed
US-4816522-A ADHESIVES, ZIRCONATE COMPOUNDS KENRICH PETROCHEMICALS (US) 1989-03-28 US disclosed
US-4753848-A PRETREATMENT WITH ORGANOZIRCONATE KENRICH PETROCHEMICALS, INC. (US) 1988-06-28 US disclosed
EP-0270271-A2 Bonding of halogenated organic compounds KENRICH PETROCHEMICALS, INC. (US) 1988-06-08 EP disclosed
US-4317859-A COATED WITH FLUOROCHEMICAL AND ZIRCONIUM, TIN, OR TITANIUM OXIDE MONSANTO COMPANY (US) 1982-03-02 US disclosed
EP-0016658-A2 Soil-resistant yarns, aqueous finish for yarns, and process for producing a soil-resistant yarn MONSANTO COMPANY (US) 1980-10-01 EP disclosed