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SCHEMBL4603333

SCHEMBL4603333

CCCCCC(C=O)Cc1cc(F)c(O[Si](C(C)C)(C(C)C)C(C)C)c(F)c1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ADH1B P00325 1/20 0.31
▸ ADH1C P00326 1/20 0.31
▸ ADH1A P07327 1/20 0.31
▸ ADH4 P08319 1/20 0.31
▸ ADH7 P40394 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
SCHEMBL13629737 0.68 TSHR (0.32) TSHRSMN1; SMN2
SCHEMBL4547653 0.68 ACACB (0.32) —
SCHEMBL1827653 0.67 CSNK1E (0.50) TSHRSMN1; SMN2
SCHEMBL4547658 0.67 CYP1A2 (0.39) TSHRSMN1; SMN2
SCHEMBL25457813 0.66 CSNK1E (0.53) TSHRSMN1; SMN2
SCHEMBL14149558 0.66 CSNK1E (0.53) TSHRSMN1; SMN2
SCHEMBL29038365 0.66 SMN1; SMN2 (0.44) TSHRSMN1; SMN2
SCHEMBL10629707 0.66 CSNK1E (0.53) TSHRSMN1; SMN2
SCHEMBL18315865 0.66 CSNK1E (0.53) TSHRSMN1; SMN2
SCHEMBL9744706 0.65 SMN1; SMN2 (0.41) TSHRSMN1; SMN2ADH1BADH1CADH1A

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-1940808-A1 DIFLUOROPHENOL DERIVATIVES AND THEIR USE Bayer HealthCare AG (DE) 2008-07-09 — — EP disclosed
WO-2007045369-A1 DIFLUOROPHENOL DERIVATIVES AND THEIR USE BAYER HEALTHCARE AG (DE) 2007-04-26 — — WO disclosed