SCHEMBL13835261

SCHEMBL13835261

CC(=O)CCC(CCC(C)C)C(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
ALDH1A1 P00352 3/20 0.39
TDP1 Q9NUW8 1/20 0.39
LMNA P02545 1/20 0.33
SLC15A2 Q16348 1/20 0.33
POLB P06746 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
KDM1A O60341 1/20 0.33
TRPA1 O75762 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 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
SCHEMBL11802464 0.91 ALDH1A1 (0.47) CA1ALDH1A1TDP1LMNASLC15A2
SCHEMBL11809377 0.84 ALDH1A1 (0.38) ALDH1A1TDP1LMNASLC15A2
SCHEMBL3790342 0.80 CA1 (0.57) CA1ALDH1A1TDP1LMNASLC15A2
SCHEMBL35996 0.80
SCHEMBL7541851 0.80
SCHEMBL14342418 0.79 ALDH1A1 (0.41) CA1ALDH1A1TDP1LMNASLC15A2
SCHEMBL15091902 0.78
Hydrogen Peroxide SCHEMBL6884370 0.78 CA1 (0.55) CA1ALDH1A1TDP1LMNASLC15A2
SCHEMBL842034 0.78
SCHEMBL20961021 0.77 ALDH1A1 (0.39) CA1ALDH1A1TDP1LMNASLC15A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103874432-B Molecularly imprinted polymers for treating tobacco material and filtering smoke from smoking articles R·J·雷诺兹烟草公司 2021-03-19 CN disclosed
US-10617144-B2 Molecularly imprinted polymers for treating tobacco material and filtering smoke from smoking articles R.J. REYNOLDS TOBACCO COMPANY (US) 2020-04-14 US disclosed
US-10617144-B2 Molecularly imprinted polymers for treating tobacco material and filtering smoke from smoking articles R.J. REYNOLDS TOBACCO COMPANY (US) 2020-04-14 US disclosed
EP-2709476-B1 MOLECULARLY IMPRINTED POLYMERS FOR TREATING TOBACCO MATERIAL AND FILTERING SMOKE FROM SMOKING ARTICLES REYNOLDS TOBACCO CO R (US) 2016-09-21 EP disclosed
EP-2709476-B1 MOLECULARLY IMPRINTED POLYMERS FOR TREATING TOBACCO MATERIAL AND FILTERING SMOKE FROM SMOKING ARTICLES REYNOLDS TOBACCO CO R (US) 2016-09-21 EP disclosed
US-20160044957-A1 MOLECULARLY IMPRINTED POLYMERS FOR TREATING TOBACCO MATERIAL AND FILTERING SMOKE FROM SMOKING ARTICLES R.J. REYNOLDS TOBACCO COMPANY 2016-02-18 US disclosed
US-20160044957-A1 MOLECULARLY IMPRINTED POLYMERS FOR TREATING TOBACCO MATERIAL AND FILTERING SMOKE FROM SMOKING ARTICLES R.J. REYNOLDS TOBACCO COMPANY 2016-02-18 US disclosed
US-20160044957-A1 MOLECULARLY IMPRINTED POLYMERS FOR TREATING TOBACCO MATERIAL AND FILTERING SMOKE FROM SMOKING ARTICLES R.J. REYNOLDS TOBACCO COMPANY 2016-02-18 US disclosed
US-9192193-B2 Molecularly imprinted polymers for treating tobacco material and filtering smoke from smoking articles R.J. REYNOLDS TOBACCO COMPANY (US) 2015-11-24 US disclosed
US-9192193-B2 Molecularly imprinted polymers for treating tobacco material and filtering smoke from smoking articles R.J. REYNOLDS TOBACCO COMPANY (US) 2015-11-24 US disclosed
US-9192193-B2 Molecularly imprinted polymers for treating tobacco material and filtering smoke from smoking articles R.J. REYNOLDS TOBACCO COMPANY (US) 2015-11-24 US disclosed
EP-2709476-A2 MOLECULARLY IMPRINTED POLYMERS FOR TREATING TOBACCO MATERIAL AND FILTERING SMOKE FROM SMOKING ARTICLES R. J. Reynolds Tobacco Company (US) 2014-03-26 EP disclosed
US-20120291793-A1 MOLECULARLY IMPRINTED POLYMERS FOR TREATING TOBACCO MATERIAL AND FILTERING SMOKE FROM SMOKING ARTICLES R.J. REYNOLDS TOBACCO COMPANY 2012-11-22 US disclosed
US-20120291793-A1 MOLECULARLY IMPRINTED POLYMERS FOR TREATING TOBACCO MATERIAL AND FILTERING SMOKE FROM SMOKING ARTICLES R.J. REYNOLDS TOBACCO COMPANY 2012-11-22 US disclosed
US-20120291793-A1 MOLECULARLY IMPRINTED POLYMERS FOR TREATING TOBACCO MATERIAL AND FILTERING SMOKE FROM SMOKING ARTICLES R.J. REYNOLDS TOBACCO COMPANY 2012-11-22 US disclosed
WO-2012158915-A2 MOLECULARLY IMPRINTED POLYMERS FOR TREATING TOBACCO MATERIAL AND FILTERING SMOKE FROM SMOKING ARTICLES R. J. REYNOLDS TOBACCO COMPANY (US) 2012-11-22 WO disclosed
WO-2012158915-A2 MOLECULARLY IMPRINTED POLYMERS FOR TREATING TOBACCO MATERIAL AND FILTERING SMOKE FROM SMOKING ARTICLES R. J. REYNOLDS TOBACCO COMPANY (US) 2012-11-22 WO disclosed