⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31083369 | 1.00 | — | — | |
| SCHEMBL30295273 | 0.89 | HTR3E (0.32) | — | |
| SCHEMBL25101152 | 0.89 | HTR3E (0.32) | — | |
| SCHEMBL30295374 | 0.85 | — | — | |
| SCHEMBL31108454 | 0.85 | — | — | |
| SCHEMBL30295218 | 0.82 | OPRM1 (0.32) | — | |
| SCHEMBL25100658 | 0.82 | OPRM1 (0.32) | — | |
| SCHEMBL25101187 | 0.81 | RXFP1 (0.31) | — | |
| SCHEMBL30295285 | 0.81 | RXFP1 (0.31) | — | |
| SCHEMBL30295223 | 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 |
|---|---|---|---|---|---|---|---|
| EP-4392037-A1 | THERAPEUTIC COMPOSITIONS AND RELATED METHODS | Boyce Thompson Institute for Plant Research Inc. (US) | 2024-07-03 | — | — | EP | disclosed |
| WO-2023028350-A1 | THERAPEUTIC COMPOSITIONS AND RELATED METHODS | BOYCE THOMPSON INSTITUTE FOR PLANT RESEARCH, INC. (US) | 2023-03-02 | — | — | WO | disclosed |