⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL36723 | 0.89 | — | — | |
| Bromide SCHEMBL11261850 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL8334514 | 0.80 | — | — | |
| SCHEMBL11432344 | 0.80 | — | — | |
| Water SCHEMBL9443623 | 0.80 | — | — | |
| Bromide SCHEMBL5961728 | 0.80 | — | — | |
| SCHEMBL183433 | 0.80 | — | — | |
| SCHEMBL16280458 | 0.80 | — | — | |
| Iodide SCHEMBL6928807 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL10430971 | 0.73 | — | — |
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-4444618-A | OXYGEN, CARBON TETRACHLORIDE, BORON TRIFLUORIDE | GENERAL ELECTRIC COMPANY (US) | 1984-04-24 | — | — | US | disclosed |