⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1622952 | 0.65 | — | — | |
| SCHEMBL7408995 | 0.55 | — | — | |
| SCHEMBL11377290 | 0.52 | — | — | |
| SCHEMBL30979833 | 0.52 | GSK3A (0.92) | — | |
| SCHEMBL5894751 | 0.51 | — | — | |
| Ethane SCHEMBL18258578 | 0.50 | — | — | |
| Ethane SCHEMBL11390749 | 0.50 | GSK3A (0.85) | — | |
| Methyl Alcohol SCHEMBL11805222 | 0.48 | — | — | |
| SCHEMBL616019 | 0.47 | — | — | |
| SCHEMBL1599522 | 0.47 | — | — |
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-5063064-A | Lithium fluoride | ATLANTIC PHARMACEUTICAL PRODUCTS LTD. (IE) | 1991-11-05 | — | — | US | disclosed |