⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29187117 | 0.81 | KMT2A (0.30) | — | |
| SCHEMBL29187083 | 0.79 | — | — | |
| SCHEMBL29187040 | 0.70 | WDR91 (0.33) | — | |
| SCHEMBL24707495 | 0.68 | ATR (0.34) | — | |
| SCHEMBL15304242 | 0.66 | SCN9A (0.36) | — | |
| SCHEMBL31568031 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL2393001 | 0.64 | SCN9A (0.35) | — | |
| SCHEMBL17508087 | 0.62 | HDAC2 (0.39) | — | |
| SCHEMBL28483022 | 0.62 | TRPV1 (0.30) | — | |
| SCHEMBL21410495 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117813302-A | Substituted tetrahydrofuran-2-carboxamides as sodium channel modulators | 沃泰克斯药物股份有限公司 | 2024-04-02 | — | — | CN | disclosed |