SCHEMBL243907

SCHEMBL243907

CCCCCCC(COCC(CCCCCC)c1ccccc1[N+](=O)[O-])c1ccccc1[N+](=O)[O-]

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ LMNA P02545 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ CYP1A2 P05177 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KMT2A Q03164 2/20 0.38
▸ GSR P00390 1/20 0.38
▸ TXNRD1 Q16881 1/20 0.38
▸ CYSLTR2 Q9NS75 1/20 0.38
▸ CYSLTR1 Q9Y271 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ PPARG P37231 1/20 0.37
▸ CA12 O43570 1/20 0.37
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ PRSS3 P35030 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL8722419 0.99 ALDH1A1 (0.43) ALDH1A1L3MBTL1LMNAGAAHPGD
SCHEMBL29116460 0.90 CYSLTR2 (0.45) ALDH1A1L3MBTL1LMNAGAAHPGD
SCHEMBL9746670 0.83 ALDH1A1 (0.49) ALDH1A1L3MBTL1LMNACYP1A2TSHR
SCHEMBL8727024 0.82 ALDH1A1 (0.47) ALDH1A1L3MBTL1LMNAGAAHPGD
SCHEMBL4575497 0.82 CYP1A2 (0.56) ALDH1A1L3MBTL1LMNAGAAHPGD
Sulfamate SCHEMBL28050249 0.82 CYSLTR2 (0.41) ALDH1A1L3MBTL1LMNAGAAHPGD
SCHEMBL28182782 0.81 L3MBTL1 (0.47) ALDH1A1L3MBTL1LMNACYP1A2TSHR
SCHEMBL139471 0.81 ALDH1A1 (0.44) ALDH1A1L3MBTL1LMNAGAAHPGD
Tetradecane SCHEMBL9443244 0.81 ALDH1A1 (0.44) ALDH1A1L3MBTL1LMNAGAAHPGD
SCHEMBL8579304 0.81 ALDH1A1 (0.44) ALDH1A1L3MBTL1LMNAGAAHPGD

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 846 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112384792-B Magnesium ion selective PVC film 雷迪奥米特医学公司 2023-05-30 — — CN claimed
CN-115825189-A Non-reference multi-ion sensor and use method thereof 苏州格纳欣电子科技有限公司 2023-03-21 — — CN claimed
CN-115639263-A Multi-ion sensor for noninductive correction 苏州格纳欣电子科技有限公司 2023-01-24 — — CN claimed
CN-115236159-A Electrode and method for rapidly determining soil quick-acting potassium ions 南京农业大学 2022-10-25 — — CN claimed
CN-111610241-B Fe for nondestructive micro-measurement3+Selective microelectrode and preparation method and application thereof 中国科学院烟台海岸带研究所 2022-06-21 — — CN claimed
CN-114609219-A Microelectrode for monitoring inorganic nitrogen ion concentration in real time and preparation method and application thereof 南京师范大学 2022-06-10 — — CN claimed
CN-114593969-A Pretreatment method for nicotine detection in mainstream smoke and application thereof 中国烟草总公司郑州烟草研究院 2022-06-07 — — CN claimed
CN-114577570-A Flat-plate membrane type electric membrane extraction device and use method and application thereof 中国烟草总公司郑州烟草研究院 2022-06-03 — — CN claimed
CN-110087758-B Selective extraction membrane for mining 巴斯夫欧洲公司 2022-06-03 — — CN claimed
CN-114235928-A Calcium ion selective electrode induction membrane solution, preparation method and application thereof 铂恩医疗科技(深圳)有限公司 2022-03-25 — — CN claimed
CN-2654151-Y In vivo on line urine sodium monitor staying catheter BEIJING AISITAIKE SCIENCE AND (CN) 2004-11-10 — — CN claimed
EP-1287345-A2 ION-SELECTIVE SOLID-STATE POLYMERIC MEMBRANE ELECTRODES MEDTRONIC, INC. (US) 2003-03-05 — — EP claimed
WO-2001088520-A2 ION-SELECTIVE SOLID-STATE POLYMERIC MEMBRANE ELECTRODES MEDTRONIC, INC. (US) 2001-11-22 — — WO claimed
US-5800624-A LIPOPHILIC POLYMER, HYDROPHOBIC PLASTICIZER, QUATERNARY AMMONIUM OR PHOSPHONIUM CARRIER UNIVERSITY OF NOTRE DAME (US) 1998-09-01 — — US claimed
US-5531870-A Potentiometric ion determinations using enhanced selectivity asymmetric ion-selective membranes E. I. DU PONT DE NEMOURS AND COMPANY (US) 1996-07-02 — — US claimed
US-5466575-A Process for the manufacture of wholly microfabricated biosensors I-STAT CORPORATION (US) 1995-11-14 — — US claimed
US-5415746-A Sampling and passing through membranes and electrolysis E. I. DU PONT DE NEMOURS AND COMPANY (US) 1995-05-16 — — US claimed
EP-0603742-A2 Potentiometric ion determinations using enhanced selectivity asymmetric ion-selective membrane electrodes E.I. DU PONT DE NEMOURS & COMPANY INCORPORATED (US) 1994-06-29 — — EP claimed
EP-0228456-A1 IONOPHORES AND ION-SELECTIVE MEMBRANES CONTAINING THE SAME WILLIS, John P. (US) 1987-07-15 — — EP claimed
WO-1987000168-A2 IONOPHORES AND ION-SELECTIVE MEMBRANES CONTAINING THE SAME WILLIS JOHN P 1987-01-15 — — WO claimed
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