⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9717626 | 0.94 | — | — | |
| SCHEMBL1221534 | 0.94 | — | — | |
| Water SCHEMBL708609 | 0.88 | MEN1 (0.67) | — | |
| Water SCHEMBL708616 | 0.88 | — | — | |
| SCHEMBL11069799 | 0.88 | — | — | |
| SCHEMBL11422313 | 0.88 | — | — | |
| Silver SCHEMBL2253632 | 0.88 | MEN1 (0.67) | — | |
| SCHEMBL8581600 | 0.88 | — | — | |
| SCHEMBL9059685 | 0.88 | — | — | |
| SCHEMBL6889796 | 0.88 | — | — |
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-5093286-A | Large non-linear optical effect | HOYA CORPORATION (JP) | 1992-03-03 | — | — | US | disclosed |