⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25907962 | 0.91 | — | — | |
| SCHEMBL25907919 | 0.73 | USP2 (0.32) | — | |
| SCHEMBL25907958 | 0.72 | SCN9A (0.33) | — | |
| SCHEMBL25119328 | 0.63 | CNR1 (0.38) | — | |
| SCHEMBL25908953 | 0.63 | CNR1 (0.38) | — | |
| SCHEMBL25909136 | 0.63 | CNR1 (0.38) | — | |
| SCHEMBL25907915 | 0.60 | CNR1 (0.40) | — | |
| SCHEMBL25119327 | 0.59 | CNR1 (0.41) | — | |
| SCHEMBL25119552 | 0.56 | SCN9A (0.37) | — | |
| SCHEMBL25907897 | 0.56 | CNR1 (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 |
|---|---|---|---|---|---|---|---|
| US-20230244147-A1 | COMPOSITION FOR FORMING ORGANIC FILM, PATTERNING PROCESS, AND COMPOUND AND POLYMER FOR FORMING ORGANIC FILM | SHIN-ETSU CHEMICAL CO., LTD. (JP) | 2023-08-03 | — | — | US | disclosed |