⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21996526 | 0.94 | — | — | |
| SCHEMBL769268 | 0.82 | — | — | |
| SCHEMBL35210236 | 0.53 | — | — | |
| SCHEMBL405602 | 0.53 | — | — | |
| Water SCHEMBL490048 | 0.47 | — | — | |
| Iodide SCHEMBL489610 | 0.47 | — | — | |
| Iodide SCHEMBL5587122 | 0.45 | — | — | |
| SCHEMBL29663 | 0.39 | — | — | |
| SCHEMBL11602107 | 0.39 | — | — | |
| SCHEMBL29664 | 0.39 | — | — |
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 4 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 |
| EP-0514338-B1 | Mixtures of sprioheptadiene compounds | CIBA GEIGY AG (CH) | 1996-03-27 | — | — | EP | disclosed |
| EP-0514338-A1 | Mixtures of sprioheptadiene compounds | CIBA-GEIGY AG (CH) | 1992-11-19 | — | — | EP | disclosed |