⚠ 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1903347 | 0.94 | TSHR (0.33) | — | |
| SCHEMBL795676 | 0.92 | CA1 (0.36) | — | |
| SCHEMBL18591289 | 0.92 | CA1 (0.36) | — | |
| SCHEMBL9393882 | 0.77 | CA12 (0.42) | — | |
| SCHEMBL27272 | 0.77 | KDM4E (0.37) | — | |
| SCHEMBL10962594 | 0.77 | TSHR (0.33) | — | |
| Tert-Butyl Formate SCHEMBL27666929 | 0.74 | TDP1 (0.45) | — | |
| SCHEMBL29139524 | 0.74 | BRD4 (0.30) | — | |
| SCHEMBL9405550 | 0.74 | GAA (0.30) | — | |
| SCHEMBL1499965 | 0.70 | CA2 (0.36) | — |
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 14 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-122094713-A | Dynamic biomarker profile | — | 2026-05-26 | — | — | CN | disclosed |
| US-20240382451-A1 | ORGANONITRO AND SULFOXYALKYL ORGANONITRO COMPOUNDS FOR USE IN TREATING MEDICAL DISORDERS | EPICENTRX INC (US) | 2024-11-21 | — | — | US | disclosed |
| US-20240374562-A1 | METHODS AND COMPOSITIONS COMPRISING A NITRITE-REDUCTASE PROMOTER FOR TREATMENT OF MEDICAL DISORDERS AND PRESERVATION OF BLOOD PRODUCTS | EPICENTRX, INC. (US) | 2024-11-14 | — | — | US | disclosed |
| CN-118632937-A | Hematological tumor analysis | 罗斯威尔公园癌症研究所公司 | 2024-09-10 | — | — | CN | disclosed |
| CN-118369419-A | Natural killer cells and methods of use thereof | 赛托维亚治疗有限责任公司 | 2024-07-19 | — | — | CN | disclosed |
| CN-118251406-A | Vasoactive Intestinal Peptide (VIP) receptor antagonists | 埃默里大学 | 2024-06-25 | — | — | CN | disclosed |
| EP-4355320-A1 | ORGANONITRO AND SULFOXYALKYL ORGANONITRO COMPOUNDS FOR USE IN TREATING MEDICAL DISORDERS | EpicentRx, Inc. (US) | 2024-04-24 | — | — | EP | disclosed |
| US-11660286-B2 | Methods and compositions comprising a nitrite-reductase promoter for treatment of medical disorders and preservation of blood products | EPICENTRX, INC. (US) | 2023-05-30 | — | — | US | disclosed |
| WO-2022266365-A1 | ORGANONITRO AND SULFOXYALKYL ORGANONITRO COMPOUNDS FOR USE IN TREATING MEDICAL DISORDERS | EPICENTRX, INC. (US) | 2022-12-22 | — | — | WO | disclosed |
| EP-2763667-B1 | ORGANONITRO THIOETHER COMPOUNDS AND MEDICAL USES THEREOF | EPICENTRX INC (US) | 2022-10-26 | — | — | EP | disclosed |
| US-8207355-B2 | Method for preparing azetidine derivatives | SANOFI-AVENTIS (FR) | 2012-06-26 | — | — | US | disclosed |
| US-8188083-B2 | Triazolopyridazines | ABBOTT LABORATORIES (US) | 2012-05-29 | — | — | US | disclosed |
| US-20110118481-A1 | METHOD FOR PREPARING AZETIDINE DERIVATIVES | SANOFI-AVENTIS (FR) | 2011-05-19 | — | — | US | disclosed |
| US-20090270402-A1 | Novel triazolopyridazines | ABBVIE INC. | 2009-10-29 | — | — | US | disclosed |