⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL456256 | 0.79 | DAO (0.32) | — | |
| SCHEMBL75926 | 0.79 | — | — | |
| SCHEMBL4581201 | 0.75 | — | — | |
| SCHEMBL447798 | 0.75 | — | — | |
| SCHEMBL1680413 | 0.75 | — | — | |
| SCHEMBL25423722 | 0.75 | — | — | |
| SCHEMBL4700498 | 0.75 | — | — | |
| SCHEMBL13754484 | 0.75 | DAO (0.30) | — | |
| SCHEMBL1706879 | 0.75 | — | — | |
| SCHEMBL7982196 | 0.75 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11643404-B2 | Ester substituted ion channel blockers and methods for use | Nocion Therapeutics, Inc. (US) | 2023-05-09 | — | — | US | disclosed |
| US-20210070734-A1 | ESTER SUBSTITUTED ION CHANNEL BLOCKERS AND METHODS FOR USE | NOCION THERAPEUTICS INC (US) | 2021-03-11 | — | — | US | disclosed |