SCHEMBL1646895

SCHEMBL1646895

C=CCC(C(F)(F)F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL2133647 0.76
SCHEMBL9330425 0.74 LMNA (0.33)
SCHEMBL7895490 0.74 LMNA (0.33)
SCHEMBL5008785 0.74 LMNA (0.33)
SCHEMBL10712092 0.74 LMNA (0.33)
SCHEMBL337101 0.74 LMNA (0.33)
SCHEMBL332787 0.72
SCHEMBL1646896 0.72
Perflubutane SCHEMBL7797247 0.69 TSHR (0.33)
SCHEMBL8421320 0.69 LMNA (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-57150625-A None JP disclosed
US-20110092410-A1 FLUOROALKYL PHOSPHATE COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 2011-04-21 US disclosed
US-20110091408-A1 METHODS OF USING FLUOROALKYL PHOSPHATE COMPOSITIONS E. I. DU PONT DE NEMOURS AND COMPANY (US) 2011-04-21 US disclosed
EP-0599023-B1 Fluorochemical aminoalcohols MINNESOTA MINING & MFG (US) 2000-08-16 EP disclosed
US-5380778-A Fluoroamino alcohol, thermoplastic resin, oil and water repellant coating for carpet fibers MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1995-01-10 US disclosed
EP-0599023-A2 Fluorochemical aminoalcohols MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1994-06-01 EP disclosed
JP-S57150625-A PERFLUOROALKYL GROUP-SUBSTITUTED OLEFIN COMPOUND AND ITS PREPARATION DAIKIN IND LTD 1982-09-17 JP disclosed