SCHEMBL45065

SCHEMBL45065

O=[N+]([O-])c1nc[nH]n1

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL30490525 0.98
Formaldehyde SCHEMBL28704503 0.96 CYP3A4 (0.32)
Boric Acid SCHEMBL28485811 0.92 CYP3A4 (0.30)
SCHEMBL11248047 0.88 TSHR (0.45)
Amitrole SCHEMBL1172473 0.67 RXFP1 (0.45)
SCHEMBL29575356 0.67
SCHEMBL27583455 0.66 CYP3A4 (0.37)
SCHEMBL57064 0.64
SCHEMBL8451434 0.62
Ammonia Solution, Strong SCHEMBL9197440 0.62 PDE10A (0.42)

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 1837 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119841401-B Electrode material for H-type electrolytic tank and method for simultaneously degrading typical explosive-deficient/explosive-rich wastewater 南京理工大学 2026-05-19 CN claimed
CN-121574326-A Fluorescent array sensor for detecting multi-generation energetic compounds, and preparation method and application thereof 南京理工大学 2026-02-27 CN claimed
EP-4658396-A1 BELT REACTOR MANUFACTURING PROCESS FOR OLIGOMER SYNTHESIS Arrowhead Pharmaceuticals, Inc. (US) 2025-12-10 EP claimed
CN-117362137-B Graphene oxide-ferrocene compound and preparation method thereof 南京理工大学 2025-06-24 CN claimed
US-12312528-B2 Etchant composition and manufacturing method of display device using the same SAMSUNG DISPLAY CO., LTD. (KR) 2025-05-27 US claimed
CN-119841401-A Electrode material for H-type electrolytic tank and method for simultaneously degrading typical explosive-deficient/explosive-rich wastewater 南京理工大学 2025-04-18 CN claimed
US-12257265-B2 Cyclic dinucleotide prodrug molecule, preparation method therefor and application thereof SHENZHEN YING BIOPHARMACEUTICAL CO., LTD (CN) 2025-03-25 US claimed
CN-119528214-A Preparation method of oxygen-enriched semiconductor titanium dioxide material 中国工程物理研究院化工材料研究所 2025-02-28 CN claimed
CN-119528830-A Preparation method of 3-nitro-1, 2, 4-triazole-5-one ammonium salt monohydrate crystal 中北大学 2025-02-28 CN claimed
EP-3901161-B1 CYCLIC DINUCLEOTIDE PRODRUG MOLECULE, PREPARATION METHOD THEREFOR AND APPLICATION THEREOF SHENZHEN YING BIOPHARMACEUTICAL CO LTD (CN) 2025-01-22 EP claimed
WO-1993022294-A1 HYDROXYLAMMONIUM SALTS OF 5-NITRO-1,2,4-TRIAZOL-3-ONE OLIN CORPORATION (US) 1993-11-11 WO claimed
EP-0544210-A1 Process for the preparation of in position 5 substituted cytosines and of other 4,5-disubstituted pyrimidin-2(1H)-ones, also the forth-issuing intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1993-06-02 EP claimed
EP-0320368-B1 1-(3,5-DIAMINO-2,4,6-TRINITROPHENYL)-3-NITRO-1H-1,2,4-TRIAZOLE, PROCESS FOR ITS PREPARATION AND EXPLOSIVE MATERIAL CONTAINING IT COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1992-09-16 EP claimed
US-RE34069-E PROCESS FOR THE PREPARATION OF OLIGONUCLEOTIDES BIOSYNTECH GMBH (DE) 1992-09-15 US claimed
EP-0320368-A1 1-(3,5-Diamino-2,4,6-trinitrophenyl)-3-nitro-1H-1,2,4-triazole, process for its preparation and explosive material containing it COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 1989-06-14 EP claimed
EP-0152459-B1 PROCESS FOR PRODUCING OLIGONUCLEOTIDES BIOSYNTECH Biochemische Synthesetechnik GmbH (DE) 1988-11-02 EP claimed
US-4725677-A USING PHOSPHINE DERIVATIVE BIOSYNTECH GMBH (DE) 1988-02-16 US claimed
EP-0152459-A1 PROCESS FOR PRODUCING OLIGONUCLEOTIDES. KOSTER HUBERT (DE) 1985-08-28 EP claimed
WO-1985000816-A1 PROCESS FOR PRODUCING OLIGONUCLEOTIDES KOESTER HUBERT (DE) 1985-02-28 WO claimed
US-4300962-A Ammonium nitrate explosive systems THE UNITED STATES OF AMERICA AS REPRESENTED BY THE UNITED STATES DEPARTMENT OF ENERGY (US) 1981-11-17 US claimed