⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30065459 | 0.74 | — | — | |
| SCHEMBL24272837 | 0.64 | — | — | |
| SCHEMBL9562288 | 0.62 | CHRNA7 (0.36) | — | |
| SCHEMBL3510998 | 0.60 | — | — | |
| SCHEMBL25417165 | 0.60 | — | — | |
| SCHEMBL31614151 | 0.60 | SOS1 (0.31) | — | |
| SCHEMBL24649250 | 0.60 | SCN9A (0.31) | — | |
| SCHEMBL23980046 | 0.60 | SCN9A (0.31) | — | |
| SCHEMBL16757277 | 0.59 | MEN1 (0.39) | — | |
| SCHEMBL21649771 | 0.58 | USP2 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |