SCHEMBL28300024

SCHEMBL28300024

CC(C)CC(O)C(=O)O.[CaH2]

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.50
SLC7A5 Q01650 1/20 0.50
OR51E2 Q9H255 1/20 0.46
TP53 P04637 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 2/20 0.43
SLC1A3 P43003 1/20 0.43
SLC1A2 P43004 1/20 0.43
TET2 Q6N021 3/20 0.40
CPA1 P15085 2/20 0.40
KDM4A O75164 2/20 0.40
KDM4C Q9H3R0 2/20 0.40
KDM2A Q9Y2K7 2/20 0.40
MEN1 O00255 1/20 0.40
LMNA P02545 1/20 0.40
KMT2A Q03164 1/20 0.40
TET3 O43151 1/20 0.40
GPR84 Q9NQS5 1/20 0.39

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
SCHEMBL28064758 0.97 RNPEP (0.52) RNPEPSLC7A5OR51E2TP53SMN1; SMN2
SCHEMBL1336542 0.97
SCHEMBL361589 0.97
SCHEMBL185354 0.97
Methane SCHEMBL11205299 0.94 RNPEP (0.50) RNPEPSLC7A5OR51E2TP53SMN1; SMN2
SCHEMBL11476606 0.94 RNPEP (0.50) RNPEPSLC7A5OR51E2TP53SMN1; SMN2
Hydrochloric Acid SCHEMBL3345131 0.94 RNPEP (0.50) RNPEPSLC7A5OR51E2TP53SMN1; SMN2
Lactic Acid SCHEMBL4626495 0.92 TP53 (0.58) RNPEPSLC7A5OR51E2TP53SMN1; SMN2
Leucine SCHEMBL20898433 0.84 SLC7A5 (0.78) RNPEPSLC7A5SLC1A3SLC1A2
SCHEMBL30970939 0.82 TET2 (0.71) RNPEPSLC7A5TET2KDM4AKDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-210832892-U Disc type dryer for continuous production of 2-hydroxy-4-methyl calcium valerate 四川久凌制药科技有限公司 2020-06-23 CN claimed
CN-210814014-U Crystallizer for 2-hydroxy-4-methyl calcium valerate 四川久凌制药科技有限公司 2020-06-23 CN claimed
CN-109912406-A A kind of synthetic method of 2- hydroxy isocaproic acid calcium 常州市天华制药有限公司 2019-06-21 CN claimed
CN-109912406-B Synthesis method of 2-hydroxy calcium isohexanate 玉门千华制药有限公司 2022-05-06 CN disclosed
CN-109912406-B Synthesis method of 2-hydroxy calcium isohexanate 玉门千华制药有限公司 2022-05-06 CN disclosed
CN-210832892-U Disc type dryer for continuous production of 2-hydroxy-4-methyl calcium valerate 四川久凌制药科技有限公司 2020-06-23 CN disclosed
CN-210814014-U Crystallizer for 2-hydroxy-4-methyl calcium valerate 四川久凌制药科技有限公司 2020-06-23 CN disclosed
CN-210814014-U Crystallizer for 2-hydroxy-4-methyl calcium valerate 四川久凌制药科技有限公司 2020-06-23 CN disclosed
CN-210814014-U Crystallizer for 2-hydroxy-4-methyl calcium valerate 四川久凌制药科技有限公司 2020-06-23 CN disclosed
CN-210832892-U Disc type dryer for continuous production of 2-hydroxy-4-methyl calcium valerate 四川久凌制药科技有限公司 2020-06-23 CN disclosed
CN-210832892-U Disc type dryer for continuous production of 2-hydroxy-4-methyl calcium valerate 四川久凌制药科技有限公司 2020-06-23 CN disclosed
CN-109912406-A A kind of synthetic method of 2- hydroxy isocaproic acid calcium 常州市天华制药有限公司 2019-06-21 CN disclosed
CN-109912406-A A kind of synthetic method of 2- hydroxy isocaproic acid calcium 常州市天华制药有限公司 2019-06-21 CN disclosed
CN-109912406-A A kind of synthetic method of 2- hydroxy isocaproic acid calcium 常州市天华制药有限公司 2019-06-21 CN disclosed