⚠ 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 SCHEMBL9107784 | 0.93 | — | — | |
| Fluoride SCHEMBL132579 | 0.91 | — | — | |
| Fluoride SCHEMBL15796527 | 0.91 | — | — | |
| SCHEMBL137695 | 0.91 | — | — | |
| Fluoride SCHEMBL1776832 | 0.91 | — | — | |
| Fluoride SCHEMBL28694596 | 0.91 | — | — | |
| Fluoride SCHEMBL28148204 | 0.91 | — | — | |
| SCHEMBL6045708 | 0.91 | — | — | |
| SCHEMBL25400723 | 0.83 | — | — | |
| SCHEMBL721480 | 0.83 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5448905-A | Solid-state chemical sensor apparatus and methods | TRANSDUCER RESEARCH, INC. (US) | 1995-09-12 | — | — | US | claimed |
| US-5448905-A | Solid-state chemical sensor apparatus and methods | TRANSDUCER RESEARCH, INC. (US) | 1995-09-12 | — | — | US | disclosed |