SCHEMBL4787328

SCHEMBL4787328

CCC(C=C(C)C(N)=O)N(S(C)(=O)=O)S(C)(=O)=O

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
SCHEMBL7100708 0.84
Sulfuric Acid SCHEMBL22730073 0.79
SCHEMBL4830545 0.79
SCHEMBL7290715 0.78 TDP1 (0.31)
SCHEMBL33997 0.78 TDP1 (0.31)
SCHEMBL1135132 0.77 KDM4E (0.30)
Bromide SCHEMBL3232025 0.77 TDP1 (0.31)
Hydrochloric Acid SCHEMBL153917 0.77 TDP1 (0.31)
SCHEMBL736603 0.77 KDM4E (0.30)
Acetic Acid SCHEMBL9818654 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008099154-A1 METHODS OF COMPLETING WELLS FOR CONTROLLING WATER AND PARTICULATE PRODUCTION HALLIBURTON ENERGY SERVICES, INC. (US) 2008-08-21 WO disclosed