⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8297620 | 0.94 | — | — | |
| SCHEMBL19545205 | 0.92 | EPHX1 (0.50) | — | |
| SCHEMBL1713541 | 0.88 | — | — | |
| Hydrochloric Acid SCHEMBL4038113 | 0.86 | — | — | |
| SCHEMBL20714981 | 0.79 | SMN1; SMN2 (0.32) | — | |
| SCHEMBL22755569 | 0.77 | EPHX1 (0.54) | — | |
| SCHEMBL19848975 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL20714983 | 0.77 | SMYD3 (0.41) | — | |
| SCHEMBL6290053 | 0.77 | EPHX2 (0.34) | — | |
| SCHEMBL1489533 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2024054807-A1 | COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND TDP-43 MODULATORS | BIOHAVEN THERAPEUTICS LTD. (VG) | 2024-03-14 | — | — | WO | disclosed |
| WO-2024050389-A1 | COMBINATION THERAPIES INCLUDING METAL CHANNEL ACTIVATORS AND NMDA RECEPTOR ANTAGONISTS | BIOHAVEN THERAPEUTICS LTD. (VG) | 2024-03-07 | — | — | WO | disclosed |
| WO-2019183148-A1 | KV7 CHANNEL ACTIVATORS COMPOSITIONS AND METHODS OF USE | KNOPP BIOSCIENCES LLC (US) | 2019-09-26 | — | — | WO | disclosed |
| CN-1174962-C | Amidine compound and its preparing process | 中国科学院上海有机化学研究所 | 2004-11-10 | — | — | CN | disclosed |
| CN-1327981-A | Amidine compound and its preparing process | SHANGHAI INST ORGANIC CHEM (CN) | 2001-12-26 | — | — | CN | disclosed |