⚠ 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 Ion SCHEMBL9107779 | 0.94 | — | — | |
| SCHEMBL137694 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL4102312 | 0.88 | — | — | |
| SCHEMBL1367984 | 0.88 | — | — | |
| Fluoride Ion SCHEMBL4752879 | 0.88 | — | — | |
| SCHEMBL355458 | 0.88 | — | — | |
| Fluoride Ion SCHEMBL5081680 | 0.88 | — | — | |
| SCHEMBL1369456 | 0.88 | — | — | |
| SCHEMBL1367445 | 0.88 | — | — | |
| SCHEMBL5668574 | 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 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 |