⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL3988557 | 1.00 | — | — | |
| Fluoride SCHEMBL7090993 | 0.87 | — | — | |
| Fluoride SCHEMBL11777029 | 0.87 | — | — | |
| Fluoride SCHEMBL8152871 | 0.87 | — | — | |
| Fluoride SCHEMBL971782 | 0.82 | — | — | |
| Fluoride SCHEMBL9130872 | 0.82 | — | — | |
| SCHEMBL9135753 | 0.82 | — | — | |
| Fluoride SCHEMBL6318587 | 0.82 | — | — | |
| Fluoride SCHEMBL4861337 | 0.82 | — | — | |
| SCHEMBL189406 | 0.82 | — | — |
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-4158591-A | Solar cell manufacture | ATLANTIC RICHFIELD COMPANY (US) | 1979-06-19 | — | — | US | disclosed |