⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19736670 | 0.90 | — | — | |
| SCHEMBL19736891 | 0.84 | — | — | |
| SCHEMBL19736671 | 0.82 | TSHR (0.34) | — | |
| SCHEMBL19737031 | 0.79 | — | — | |
| SCHEMBL19736758 | 0.78 | NOS2 (0.34) | — | |
| SCHEMBL19736889 | 0.78 | — | — | |
| SCHEMBL19737030 | 0.77 | HTR2A (0.31) | — | |
| SCHEMBL19737022 | 0.77 | TSHR (0.31) | — | |
| SCHEMBL19737027 | 0.75 | TSHR (0.30) | — | |
| SCHEMBL19736676 | 0.72 | — | — |
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-11345653-B2 | Compositions and methods for reactivating cholinesterases | THE HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE INC. (US) | 2022-05-31 | — | — | US | disclosed |
| US-20190345097-A1 | Compositions and Methods for Reactivating Cholinesterases | The Henry M. Jackson Foundation for the Advancemen t of Military Medicine, Inc. (US) | 2019-11-14 | — | — | US | disclosed |
| WO-2017218886-A1 | COMPOSITIONS AND METHODS FOR REACTIVATING CHOLINESTERASES | THE HENRY M. JACKSON FOUNDATION FOR THE ADVANCEMENT OF MILITARY MEDICINE, INC. (US) | 2017-12-21 | — | — | WO | disclosed |