⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8976363 | 0.94 | — | — | |
| SCHEMBL769268 | 0.72 | — | — | |
| SCHEMBL405602 | 0.56 | — | — | |
| SCHEMBL35210236 | 0.56 | — | — | |
| SCHEMBL2697666 | 0.56 | — | — | |
| Water SCHEMBL490048 | 0.50 | — | — | |
| Iodide SCHEMBL489610 | 0.50 | — | — | |
| Iodide SCHEMBL5587122 | 0.47 | — | — | |
| SCHEMBL29663 | 0.41 | — | — | |
| SCHEMBL11602107 | 0.41 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-12194023-B2 | Compositions and methods for modular control of bioorthogonal ligation | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2025-01-14 | — | — | US | disclosed |
| US-20220218661-A1 | COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2022-07-14 | — | — | US | disclosed |
| WO-2020113077-A9 | COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2020-08-13 | — | — | WO | disclosed |
| WO-2020113077-A1 | COMPOSITIONS AND METHODS FOR MODULAR CONTROL OF BIOORTHOGONAL LIGATION | THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) | 2020-06-04 | — | — | WO | disclosed |
| CN-105693745-A | Organic pi-conjugated compound and its preparation method and use | 中国科学院苏州纳米技术与纳米仿生研究所 | 2016-06-22 | — | — | CN | disclosed |