SCHEMBL16031

SCHEMBL16031

O=[N+]([O-])c1cc[c]cc1

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
SCHEMBL28139668 1.00 ALDH1A1 (0.55)
SCHEMBL26682618 0.97 ALDH1A1 (0.52)
SCHEMBL28121738 0.97 ALDH1A1 (0.52)
Hydrochloric Acid SCHEMBL1162175 0.97 ALDH1A1 (0.52)
SCHEMBL28372761 0.97 ALDH1A1 (0.52)
SCHEMBL27830139 0.97 ALDH1A1 (0.52)
SCHEMBL27545466 0.97 ALDH1A1 (0.52)
SCHEMBL27471364 0.97 ALDH1A1 (0.52)
SCHEMBL28256570 0.95 ALDH1A1 (0.50)
SCHEMBL28717029 0.91 ALDH1A1 (0.46)

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

Appears in 80379 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4039690-B1 A SUBSTANTIALLY DIASTEREOMERICALLY PURE PHOSPHORAMIDOCHLORIDATE, A METHOD AND A PHARMACEUTICAL COMPOSITION EISAI R&D MAN CO LTD (JP) 2024-07-17 EP claimed
EP-4400166-A2 METHODS FOR IMPLANTING AND REVERSING STIMULI-RESPONSIVE IMPLANTS Contraline, Inc. (US) 2024-07-17 EP claimed
CN-118344695-A Hydroxyl-enriched cycloolefin copolymer long afterglow material and application thereof 重庆理工大学 2024-07-16 CN claimed
CN-118136960-B Electrolyte and battery 深圳欣界能源科技有限公司 2024-07-16 CN claimed
CN-116082204-B Beta-sulfinyl alkenyl sulfone compound and preparation method and application thereof 华南师范大学 2024-07-12 CN claimed
CN-118324804-A Aromatic phosphonate compound and synthesis method thereof 海南大学 2024-07-12 CN claimed
US-20240225002-A1 FUNGICIDAL COMPOSITION CONTAINING OXADIAZOLE COMPOUNDS PI INDUSTRIES LTD. (IN) 2024-07-11 US claimed
EP-3904526-B1 SELF INDICATING ANTIMICROBIAL CHEMISTRY ECOLAB USA INC (US) 2024-07-10 EP claimed
EP-4396348-A2 HIGH MOLECULAR WEIGHT MODIFIED DSRNA COMPOSITIONS Nanosur LLC (US) 2024-07-10 EP claimed
EP-3773735-B1 CONJUGATE OF CYTOTOXIC DRUG AND PRODRUG FORM OF SAID CONJUGATE SYNDIVIA (FR) 2024-07-10 EP claimed
US-3939158-A N-(2,4-dihalo-S-triazin-6-yl)-ureas and process for their manufacture CIBA-GEIGY AG (CH) 1976-02-17 US claimed
US-3936443-A Penicillin antibiotics GLAXO LABORATORIES LIMITED (EN) 1976-02-03 US claimed
US-3936442-A ANTIBIOTIC BAYER AKTIENGESELLSCHAFT (DT) 1976-02-03 US claimed
US-3935198-A BY HEATING THE PENICILLIN SULFOXIDE YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1976-01-27 US claimed
US-3933715-A N-substituted maleic imide preservative for aqueous dispersions of polymers derived from α, β-ethylenically unsaturated monomers HOECHST AKTIENGESELLSCHAFT (DT) 1976-01-20 US claimed
US-3933803-A ANTIBACTERIAL, ANTIMITOTIC, ANTIMYCOTIC INSTITUTO LUSO FARMACO D'ITALIA S.R.L. (IT) 1976-01-20 US claimed
US-3932380-A DIFFUSION TRANSFER COLOR PHOTOGRAPHY EASTMAN KODAK COMPANY (US) 1976-01-13 US claimed
US-3932423-A TREATMENT OF PSYCHOLOGICAL DISORDERS YOSHITOMI PHARMACEUTICAL INDUSTRIES (JA) 1976-01-13 US claimed
US-3931235-A FROM THE ALKALIMETAL SALT OF 4-HYDROXY-6-METHYL-2-PYRONE AND A THIOLSULFONATE THE DOW CHEMICAL COMPANY (US) 1976-01-06 US claimed
US-3931336-A Production of oxyalkylated α-hydroxy acetylenic compounds BADISCHE ANILIN- & SODA-FABRIK AKTIENGESELLSCHAFT (DT) 1976-01-06 US claimed