⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL811747 | 0.76 | — | — | |
| SCHEMBL27288622 | 0.63 | — | — | |
| SCHEMBL24119178 | 0.62 | — | — | |
| SCHEMBL25663970 | 0.60 | ALDH1A1 (0.50) | — | |
| SCHEMBL25663969 | 0.60 | ALDH1A1 (0.50) | — | |
| SCHEMBL19151963 | 0.60 | KCNH2 (0.31) | — | |
| SCHEMBL10532985 | 0.60 | — | — | |
| SCHEMBL2972555 | 0.60 | CYP1A2 (0.35) | — | |
| SCHEMBL21159059 | 0.60 | PIK3CD (0.32) | — | |
| SCHEMBL789350 | 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 |
|---|---|---|---|---|---|---|---|
| EP-4098281-A1 | HIGHLY SAFE NON-LAMELLAR LIQUID CRYSTAL FORMING COMPOSITION | Farnex Incorporated (JP) | 2022-12-07 | — | — | EP | disclosed |