⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19737031 | 0.87 | — | — | |
| SCHEMBL19737022 | 0.85 | TSHR (0.31) | — | |
| SCHEMBL19736889 | 0.83 | — | — | |
| SCHEMBL19736891 | 0.83 | — | — | |
| SCHEMBL19737027 | 0.81 | TSHR (0.30) | — | |
| SCHEMBL19736676 | 0.75 | — | — | |
| SCHEMBL19737023 | 0.72 | — | — | |
| SCHEMBL19737028 | 0.68 | TLR8 (0.36) | — | |
| SCHEMBL19736670 | 0.68 | — | — | |
| SCHEMBL19736671 | 0.67 | TSHR (0.34) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |