SCHEMBL19974879

SCHEMBL19974879

CC(C(=O)O)N(C=O)C1CCCCC1.[LiH]

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADH1A P07327 10/20 0.61
ADH1C P00326 7/20 0.61
ADH1B P00325 1/20 0.61
ADH4 P08319 1/20 0.36
ALDH1A1 P00352 1/20 0.36
ATM Q13315 1/20 0.34

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
SCHEMBL27736931 0.98 ADH1A (0.63) ADH1AADH1CADH1BADH4ALDH1A1
SCHEMBL21183508 0.98 ADH1A (0.63) ADH1AADH1CADH1BADH4ALDH1A1
SCHEMBL27716098 0.98 ADH1A (0.63) ADH1AADH1CADH1BADH4ALDH1A1
Lithium Ion SCHEMBL30062922 0.81 ADH1A (0.59) ADH1AADH1CADH1BADH4
SCHEMBL19975581 0.77 ADH1A (0.54) ADH1AADH1CADH1BADH4ALDH1A1
SCHEMBL19975558 0.77 ADH1A (0.54) ADH1AADH1CADH1BALDH1A1ATM
SCHEMBL28226157 0.77 ADH1A (0.54) ADH1AADH1CADH1B
SCHEMBL9463243 0.77 ADH1A (1.00) ADH1AADH1CADH1BADH4ALDH1A1
SCHEMBL10486684 0.76 ADH1C (0.41) ADH1AADH1CADH1B
SCHEMBL601670 0.75 FDPS (0.45) ADH1AADH1CADH1BALDH1A1

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
CN-110062753-A Antiviral compounds 哈普洛根有限责任公司 2019-07-26 CN disclosed
EP-3512836-A1 ANTIVIRAL COMPOUNDS Haplogen GmbH (AT) 2019-07-24 EP disclosed
WO-2018050631-A1 ANTIVIRAL COMPOUNDS HAPLOGEN GMBH (AT) 2018-03-22 WO disclosed