SCHEMBL7946804

SCHEMBL7946804

CCCS(=O)(=O)CCC(NC)C(F)(F)C(F)(F)F

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 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
SCHEMBL7946802 0.71
SCHEMBL1704445 0.68 TP53 (0.32)
SCHEMBL7957603 0.68
Fluoromethane SCHEMBL27893892 0.65 FAAH (0.39) CES1
SCHEMBL152599 0.64
SCHEMBL7946837 0.64
SCHEMBL7981132 0.63
SCHEMBL3195604 0.62
SCHEMBL23177600 0.62 CES1 (0.34) CES1
Ammonia Solution, Strong SCHEMBL30673742 0.62 CA2 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6271403-B1 PURE ANTIESTROGENS, OR ESTROGENIC ANTIESTROGENS WITH ESTROGENIC PARTIAL ACTION. SCHERING AKTIENGESELLSCHAFT (DE) 2001-08-07 US disclosed
US-5986115-A STEROIDS WITH FLUORO GROUPS AND ETHER OR ESTER GROUPS SCHERING AG (DE) 1999-11-16 US disclosed
US-5866560-A ESTROGEN INHIBITORS; TUMOR THERAPY; HORMONE REPLACEMENT THERAPY SCHERING AG (DE) 1999-02-02 US disclosed