SCHEMBL11215299

SCHEMBL11215299

ClCC1CO1.OCC(Br)CCl

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.54
TDP1 Q9NUW8 1/20 0.54

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
SCHEMBL4247613 0.76
Glycerin SCHEMBL253986 0.76 ALDH1A1 (0.62) ALDH1A1TDP1
SCHEMBL11204489 0.75 ALDH1A1 (0.54) ALDH1A1TDP1
Ethylene Glycol SCHEMBL8467093 0.74
Hydrogen Peroxide SCHEMBL28159702 0.74
SCHEMBL118159 0.74
SCHEMBL3701513 0.74 ALDH1A1 (1.00) ALDH1A1TDP1
SCHEMBL17976 0.74
SCHEMBL31018802 0.74
SCHEMBL117455 0.74

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-0091305-A2 Method for producing vicinal, heterogeneous dihalogenated products, their use, and novel products CETUS CORPORATION (US) 1983-10-12 EP disclosed