SCHEMBL212845

SCHEMBL212845

O=[N+]([O-])c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.81
TSHR P16473 3/20 0.67
LMNA P02545 3/20 0.67
VCAM1 P19320 1/20 0.62
ALDH1A1 P00352 6/20 0.60
CYP3A4 P08684 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MEN1 O00255 3/20 0.55
HTT P42858 3/20 0.55
KMT2A Q03164 3/20 0.55
CES1 P23141 2/20 0.50
HSD17B10 Q99714 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
POLB P06746 1/20 0.50
KDM4E B2RXH2 1/20 0.50
TTR P02766 1/20 0.50
CYP1A2 P05177 1/20 0.50
MAPT P10636 1/20 0.50
CYP2C9 P11712 1/20 0.50
HPGD P15428 1/20 0.50

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
SCHEMBL9789472 0.96 CYP19A1 (0.77) CYP19A1TSHRLMNAVCAM1ALDH1A1
SCHEMBL29395454 0.96 CYP19A1 (0.77) CYP19A1TSHRLMNAVCAM1ALDH1A1
SCHEMBL9789477 0.96 CYP19A1 (0.77) CYP19A1TSHRLMNAVCAM1ALDH1A1
SCHEMBL16541066 0.96 CYP19A1 (0.77) CYP19A1TSHRLMNAVCAM1ALDH1A1
Nitrogen SCHEMBL28764717 0.93 CYP19A1 (0.72) CYP19A1TSHRLMNAVCAM1ALDH1A1
Formaldehyde SCHEMBL27742852 0.93 CYP19A1 (0.72) CYP19A1TSHRLMNAVCAM1ALDH1A1
Benzene SCHEMBL2793854 0.93 CYP19A1 (0.72) CYP19A1TSHRLMNAVCAM1ALDH1A1
SCHEMBL5958784 0.90 CYP19A1 (1.00) CYP19A1TSHRLMNAVCAM1ALDH1A1
SCHEMBL27543846 0.90 CYP19A1 (0.68) CYP19A1TSHRLMNAVCAM1ALDH1A1
SCHEMBL3182654 0.87 CYP19A1 (0.65) CYP19A1TSHRLMNAVCAM1ALDH1A1

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 1963 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2026102620-A1 LAYERED ORGANIC SOLID-STATE ELECTROLYTE MEMBRANE, PREPARATION METHOD THEREFOR, AND USE THEREOF 深圳理工大学 2026-05-21 WO claimed
CN-122051347-A Layered organic solid electrolyte membrane and preparation method and application thereof 深圳理工大学 2026-05-15 CN claimed
US-20250251347-A1 PORTABLE LIQUID ANALYZER VERITEQUE USA INC (US) 2025-08-07 US claimed
CN-118878426-A Method for preparing spherical 1,3, 5-triamino-2, 4,6 trinitrobenzene based on emulsion method 西南科技大学 2024-11-01 CN claimed
US-11940387-B2 Portable liquid analyzer VERITEQUE USA, INC. (US) 2024-03-26 US claimed
CN-117577939-A Electrolyte suitable for alloy negative electrode and lithium ion battery 宁波大学 2024-02-20 CN claimed
CN-116903860-A Polyimide-loaded triaminoporphyrin probe, preparation method thereof and application thereof in detection of nitroaromatic explosives 中科认证技术服务(广州)有限公司 2023-10-20 CN claimed
CN-113149843-B Method for preparing 1,3,5-trinitrobenzene 中北大学 2023-03-31 CN claimed
CN-114316202-A Ultraviolet-curing aqueous polyurethane acrylate emulsion and preparation method thereof 上海船舶工艺研究所(中国船舶工业集团公司第十一研究所) 2022-04-12 CN claimed
CN-214763980-U Novel tail gas treatment in triazine class weedicide production process device 山东滨农科技有限公司 2021-11-19 CN claimed
US-4370404-A Desensitizing solution for lithographic printing plate FUJI PHOTO FILM CO., LTD. (JP) 1983-01-25 US claimed
US-4334110-A BY REACTION OF 2,4,6-TRINITROTOLUENE WITH NITRIC ACID AKTIEBOLAGET BOFORS (SE) 1982-06-08 US claimed
US-4328304-A HYDROPHICIC COLLOID, POLYMERIZATION INHIBITOR FUJI PHOTO FILM CO., LTD. (JP) 1982-05-04 US 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-4170669-A ACID- OR BASE-SOLUBILE OKADA ICHIRO (JP) 1979-10-09 US claimed
US-3994756-A Castable composite explosive compositions containing a mixture of trinitrobenzene and trinitroxylene THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1976-11-30 US claimed
US-3982938-A Photoconductive toners which include photoconductive pigment particles in a charge-transporting insulating binder FUJI PHOTO FILM CO., LTD. (JA) 1976-09-28 US claimed
US-3979182-A ALCOHOL, KETONE, NITROBENZENE THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY (US) 1976-09-07 US claimed
US-3963676-A TETRAOXANE, TETRANITROMETHANE, MONO, DI, OR TRI-NITROBENZENES, DIPHENYL PICRYL HYDRAZINE PROMOTERS JAPAN ATOMIC ENERGY RESEARCH INSTITUTE (JA) 1976-06-15 US claimed