SCHEMBL7206088

SCHEMBL7206088

CCCC(C)(C)C.O=S(=O)(Cl)Cl

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
FDPS P14324 1/20 0.33
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL56629 0.80
SCHEMBL10013009 0.80 TSHR (0.46) FDPSTSHRTDP1
Hypochlorous Acid SCHEMBL11409988 0.78
Ammonia Solution, Strong SCHEMBL28870452 0.77
Hydrogen Sulfide SCHEMBL5679865 0.77
Ammonia Solution, Strong SCHEMBL2422921 0.77
SCHEMBL27512736 0.74 FDPS (0.32) FDPS
SCHEMBL5076483 0.74 FDPS (0.32) FDPS
Hydrochloric Acid SCHEMBL28870459 0.74
Butane SCHEMBL569939 0.73

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-6610518-B2 Using Cytochrome p450 PFIZER INC. 2003-08-26 US disclosed
US-20020012977-A1 Enzymatic oxidations PFIZER PRODUCTS INC. 2002-01-31 US disclosed
EP-1160331-A1 Enzymatic oxidations Pfizer Limited (GB) 2001-12-05 EP disclosed