⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1479692 | 0.81 | — | — | |
| Water SCHEMBL27851744 | 0.80 | — | — | |
| SCHEMBL27374791 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL27634734 | 0.80 | — | — | |
| Water SCHEMBL27374792 | 0.80 | — | — | |
| SCHEMBL27863384 | 0.79 | — | — | |
| SCHEMBL4872631 | 0.79 | — | — | |
| SCHEMBL7782806 | 0.72 | NPC1 (0.37) | — | |
| SCHEMBL8847376 | 0.71 | — | — | |
| SCHEMBL7675023 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1099384-A | Process for preparing isocyanates | MONSANTO CO (US) | 1995-03-01 | — | — | CN | disclosed |