SCHEMBL13046473

SCHEMBL13046473

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

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.48
GABRR1 P24046 2/20 0.48
CYP1A2 P05177 1/20 0.48
BLM P54132 1/20 0.47
LTA4H P09960 1/20 0.38
FOLH1 Q04609 2/20 0.33
NAALAD2 Q9Y3Q0 2/20 0.33
ENPEP Q07075 2/20 0.33
BHMT Q93088 1/20 0.33
BHMT2 Q9H2M3 1/20 0.33
TP53 P04637 1/20 0.32

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
SCHEMBL9808870 0.90 ACE2 (0.40) ACE2GABRR1CYP1A2BLMLTA4H
SCHEMBL9069956 0.90 BLM (0.57) ACE2GABRR1CYP1A2BLMLTA4H
SCHEMBL18159072 0.86 ENPEP (0.35) ACE2GABRR1CYP1A2BLMENPEP
SCHEMBL13235891 0.84 ACE2 (0.34) ACE2GABRR1CYP1A2BLM
SCHEMBL14431504 0.81 SLC1A2 (0.44)
SCHEMBL6160839 0.81 ACE2 (0.44) ACE2GABRR1CYP1A2BLMLTA4H
SCHEMBL5539684 0.80 GABRR1 (0.44) ACE2GABRR1CYP1A2BLMLTA4H
SCHEMBL250969 0.80 GABRR1 (0.44) ACE2GABRR1CYP1A2BLMLTA4H
SCHEMBL16749901 0.80 GABRR1 (0.44) ACE2GABRR1CYP1A2BLMLTA4H
SCHEMBL1067868 0.80 BHMT (0.42) CYP1A2BHMT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9914874-B2 Composite nanoparticles including a malonic acid derivative 3M INNOVATIVE PROPERTIES COMPANY (US) 2018-03-13 US disclosed
US-20160304775-A1 COMPOSITE NANOPARTICLES INCLUDING A MALONIC ACID DERIVATIVE 3M INNOVATIVE PROPERTIES COMPANY 2016-10-20 US disclosed
US-7838584-B2 Golf ball BRIDGESTONE SPORTS CO., LTD. (JP) 2010-11-23 US disclosed
US-20080039563-A1 Golf ball BRIDGESTONE SPORTS CO., LTD. 2008-02-14 US disclosed