SCHEMBL8375600

SCHEMBL8375600

CN(C)C(=O)CC(Cl)C(=O)Cl

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.41
▸ TSHR P16473 1/20 0.41
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNB4 P30926 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ GAA P10253 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
SCHEMBL2195181 0.79 — —
SCHEMBL7627830 0.73 — —
SCHEMBL5385812 0.73 — —
SCHEMBL4128955 0.70 — —
SCHEMBL801270 0.70 — —
SCHEMBL19910614 0.69 — —
SCHEMBL3907850 0.69 — —
SCHEMBL3096327 0.69 ALDH1A1 (0.39) ALDH1A1TSHRCHRNB2CHRNB4CHRNA4
SCHEMBL18461960 0.69 — —
SCHEMBL1615790 0.69 — —

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
EP-0598751-B1 SYNTHESIS OF IOVERSOL USING CHLOROACETYL CHLORIDE MALLINCKRODT MEDICAL INC (US) 1999-03-24 — — EP claimed
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