SCHEMBL17791663

SCHEMBL17791663

O=C(O)OC(CCl)C1CCCC1

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
EPHX1 P07099 2/20 0.33

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
SCHEMBL17791666 0.98 ALDH1A1 (0.38) ALDH1A1EPHX1
SCHEMBL17791693 0.92
SCHEMBL12986479 0.83 BCL2A1 (0.31)
SCHEMBL4476053 0.80 SHBG (0.40) ALDH1A1EPHX1
SCHEMBL4463804 0.78 SHBG (0.43) ALDH1A1EPHX1
SCHEMBL3469911 0.78 ALDH1A1 (0.38) ALDH1A1EPHX1
SCHEMBL11240771 0.77 ALDH1A1 (0.37) ALDH1A1EPHX1
SCHEMBL28943266 0.76 ALDH1A1 (0.40) ALDH1A1EPHX1
SCHEMBL15632940 0.74 SMN1; SMN2 (0.33)
SCHEMBL17867661 0.74 ALDH1A1 (0.38) ALDH1A1EPHX1

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
US-9359376-B2 Substituted methylformyl reagents and method of using same to modify physicochemical and/or pharmacokinetic properties of compounds SPHAERA PHARMA PTE. LTD (SG) 2016-06-07 US claimed