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Sugi Predict / Compounds / Malonic Acid

Malonic Acid

Malonic Acid

SCHEMBL27835596

CN(C)C=O.O=C(O)CC(=O)O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 3/20 0.53
▸ LDHA P00338 1/20 0.53
▸ SRR Q9GZT4 1/20 0.53
▸ PHF8 Q9UPP1 3/20 0.37
▸ KDM2A Q9Y2K7 3/20 0.37
▸ KDM7A Q6ZMT4 1/20 0.37
▸ FFAR3 O14843 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALOX15 P16050 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ USP2 O75604 1/20 0.33
▸ APEX1 P27695 1/20 0.33
▸ EGLN1 Q9GZT9 2/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ KDM6B O15054 1/20 0.32
▸ KDM5C P41229 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ HDAC3 O15379 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30

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
Dimethylformamide SCHEMBL27566666 0.82 TSHR (0.53) TSHRLDHASRRPHF8KDM2A
Succinic Acid SCHEMBL28122017 0.82 EGLN1 (0.53) TSHRPHF8KDM2AKDM7AFFAR3
Propionic Acid SCHEMBL27702359 0.82 FFAR3 (0.59) TSHRPHF8KDM2AKDM7AFFAR3
Malonic Acid SCHEMBL5875191 0.81 LDHA (0.69) TSHRLDHASRRPHF8KDM2A
Malonic Acid SCHEMBL5875183 0.81 LDHA (0.69) TSHRLDHASRRPHF8KDM2A
Dimethylformamide SCHEMBL9754300 0.81 — —
Dimethylformamide SCHEMBL28869383 0.80 — —
Dimethylformamide SCHEMBL27459726 0.80 GLRA1 (0.56) TSHRPHF8KDM2AKDM7AFFAR3
Dimethylformamide SCHEMBL27671434 0.80 TSHR (0.56) TSHRPHF8KDM2AKDM7AFFAR3
Dimethylformamide SCHEMBL2692237 0.78 — —

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-110128510-B MERS-CoV fusion inhibitors 中国人民解放军军事科学院军事医学研究院 2021-02-26 — — CN disclosed
CN-106146624-B Site-directed covalently cross-linked natural N-peptide HIV-1 inhibitors 中国人民解放军军事医学科学院毒物药物研究所 2020-03-31 — — CN disclosed
CN-106317209-B Covalently cross-linked N-peptide inhibitors 中国人民解放军军事医学科学院毒物药物研究所 2020-03-13 — — CN disclosed
CN-108395471-B Polypeptide for inhibiting MERS-CoV infection 中国人民解放军军事科学院军事医学研究院 2020-03-13 — — CN disclosed
CN-110128510-A MERS-CoV fusion inhibitor 中国人民解放军军事科学院军事医学研究院 2019-08-16 — — CN disclosed
CN-102311487-B Polypeptide, composition and the purposes of AntiHIV1 RT activity infection 中国人民解放军军事医学科学院毒物药物研究所 2018-09-11 — — CN disclosed
CN-108395471-A Inhibit the polypeptide of MERS-CoV infection 中国人民解放军军事科学院军事医学研究院 2018-08-14 — — CN disclosed
CN-103122024-B AntiHIV1 RT activity infection polypeptide, composition and the purposes of engineer 中国人民解放军军事医学科学院毒物药物研究所 2017-12-29 — — CN disclosed
CN-104277113-B Suppress the divalence polypeptide of HIV 中国人民解放军军事医学科学院毒物药物研究所 2017-09-26 — — CN disclosed
CN-104136455-B Anti-hiv-1 polypeptide and use thereof 中国人民解放军军事医学科学院毒物药物研究所 2017-05-17 — — CN disclosed
CN-106317209-A Covalent cross-linked N-peptide inhibitor 中国人民解放军军事医学科学院毒物药物研究所 2017-01-11 — — CN disclosed
CN-106146624-A Site-directed covalently cross-linked natural N-peptide HIV-1 inhibitors 中国人民解放军军事医学科学院毒物药物研究所 2016-11-23 — — CN disclosed
CN-103974971-B For suppressing the polypeptide of HIV, its medical composition and its use 中国人民解放军军事医学科学院毒物药物研究所 2016-09-14 — — CN disclosed
CN-102089329-A Polypeptide for inhibiting HIV infection and derivative thereof INST PHARM & TOXICOLOGY AMMS 2011-06-08 — — CN disclosed