SCHEMBL503450

SCHEMBL503450

O=C(O)c1ccc([N+](=O)[O-])cc1[N+](=O)[O-]

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 1/20 0.66
ALDH1A1 P00352 4/20 0.66
TDP1 Q9NUW8 3/20 0.66
CYP3A4 P08684 1/20 0.66
ALOX15 P16050 1/20 0.66
MAPT P10636 2/20 0.59
POLB P06746 1/20 0.59
GPR35 Q9HC97 2/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
TP53 P04637 2/20 0.58
HPGD P15428 1/20 0.58
TSHR P16473 1/20 0.58
MAPK1 P28482 1/20 0.58
CYP1A2 P05177 1/20 0.57
HIF1A Q16665 1/20 0.53
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
TXNRD1 Q16881 1/20 0.52
TXNRD3 Q86VQ6 1/20 0.52
TXNRD2 Q9NNW7 1/20 0.52

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
Benzene SCHEMBL10436420 0.98 CES2 (0.69) CES2ALDH1A1TDP1CYP3A4ALOX15
Hydrochloric Acid SCHEMBL3126469 0.98 CES2 (0.64) CES2ALDH1A1TDP1CYP3A4ALOX15
Benzene SCHEMBL10436419 0.98 CES2 (0.69) CES2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL23037543 0.96 CES2 (0.62) CES2ALDH1A1TDP1CYP3A4ALOX15
Methylamine SCHEMBL9861803 0.95 ALDH1A1 (0.65) CES2ALDH1A1TDP1CYP3A4ALOX15
Trimethylammonium SCHEMBL9860952 0.93 ALDH1A1 (0.62) CES2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL28011591 0.90 TSHR (0.59) CES2ALDH1A1TDP1CYP3A4ALOX15
Pyridine SCHEMBL8710546 0.89 CES2 (0.58) CES2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL5341177 0.86 CES2 (0.63) CES2ALDH1A1TDP1CYP3A4ALOX15
SCHEMBL9493307 0.86 CES2 (0.59) CES2ALDH1A1TDP1CYP3A4ALOX15

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 1017 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4661890-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS Purdue Research Foundation (US) 2025-12-17 EP claimed
CN-119613465-A Chemical synthesis method of haemophilus influenzae type b capsular polysaccharide derivative 江南大学 2025-03-14 CN claimed
US-20250043660-A1 Organic Esters With Electron Withdrawing Groups For Use In Subterranean Formations HALLIBURTON ENERGY SERVICES, INC. (US) 2025-02-06 US claimed
EP-3980769-B1 METHOD AND SENSOR FOR DETECTION OF TRIACETONE TRIPEROXIDE (TATP), DIACETONE DIPEROXIDE (DADP), HEXAMETHYLENE TRIPEROXIDE DIAMINE (HMTD) AND HYDROGEN PEROXIDE BUNDESREPUBLIK DEUTSCHLAND VERTRETEN DURCH DEN BUNDESMINISTER FUER WIRTSCH UND ENERGIE DIESER VERTRE (DE) 2025-01-22 EP claimed
CN-119125582-A Paper-based sensor for creatinine detection and preparation method thereof 武汉虹之彩包装印刷有限公司 2024-12-13 CN claimed
CN-118221824-B Preparation and purification of chromatography independent C-line DNP coupled BSA and polyclonal antibody thereof 南京松天盛科生物科技有限公司 2024-10-25 CN claimed
CN-118725252-A Sulfonyl iminopolyurethane single-ion polymer electrolyte membrane, and preparation method and application thereof 哈尔滨工业大学 2024-10-01 CN claimed
WO-2024167565-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS PURDUE RESEARCH FOUNDATION (US) 2024-08-15 WO claimed
CN-118221824-A Preparation and purification of chromatography independent C-line DNP coupled BSA and polyclonal antibody thereof 南京松天盛科生物科技有限公司 2024-06-21 CN claimed
CN-118184679-A Photothermal agent and preparation method thereof, photothermal nanoparticle and preparation method thereof, insulating material and self-repairing method of insulating material 中国石油天然气股份有限公司 2024-06-14 CN claimed
US-4715218-A Method of determining degree of embrittlement of low alloy steel KABUSHIKI KAISHA TOSHIBA (JP) 1987-12-29 US claimed
US-4580194-A Aluminum electrolytic capacitor SPRAGUE ELECTRIC COMPANY (US) 1986-04-01 US claimed
US-4346014-A INCLUSION OF NITRO COMPOUND IN ROLLING OIL PENNWALT CORPORATION (US) 1982-08-24 US claimed
EP-0055616-A1 Antibacterial compounds BEECHAM GROUP PLC (GB) 1982-07-07 EP claimed
US-4302521-A TRANSPORT PHASE OF A P-TYPE ORGANIC SEMICONDUCTOR, POLYVINYLCARBAZOLE, A LEWIS AND A BRONSTED ACID; CHARGE TRANSFER COMPOUNDS KONISHIROKU PHOTO INDUSTRY CO., LTD. (JP) 1981-11-24 US claimed
US-4225648-A PROTECTIVE COATING OF POLYMER CONTAINING LEWIS ACID RICOH COMPANY, LTD. (JP) 1980-09-30 US claimed
US-4155872-A AMINE SALTS OF CARBOXYLIC ACID, INCREASED TURBIDITY AND RESPONSE SPEED SHARP CORPORATION (JP) 1979-05-22 US claimed
US-4088483-A SELENIUM, POLYVINYLCARBAZOLE, NITRATED BENZOIC ACID DERIVATIVE MINOLTA CAMERA KABUSHIKI KAISHA (JA) 1978-05-09 US claimed
US-3997342-A Photoconductive element exhibiting persistent conductivity EASTMAN KODAK COMPANY (US) 1976-12-14 US claimed
US-3956168-A QUATERNARY AMMONIUM COMPOUND DAINIPPON INK AND CHEMICALS, INCORPORATED (JA) 1976-05-11 US claimed