⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL166503 | 0.80 | CA1 (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL28932381 | 0.78 | — | — | |
| Ammonia Solution, Strong SCHEMBL28538685 | 0.78 | — | — | |
| Lithium SCHEMBL30480123 | 0.78 | — | — | |
| Methane SCHEMBL3208229 | 0.78 | — | — | |
| Hydrogen Sulfide SCHEMBL811999 | 0.78 | — | — | |
| Boric Acid SCHEMBL17220526 | 0.78 | — | — | |
| Potassium SCHEMBL3165580 | 0.78 | — | — | |
| Iodide SCHEMBL3893250 | 0.78 | — | — | |
| Iodide SCHEMBL3893255 | 0.78 | — | — |
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-5213710-A | Benzene derivatives and a liquid-crystalline medium | MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) | 1993-05-25 | — | — | US | disclosed |