⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29419600 | 1.00 | — | — | |
| SCHEMBL10784841 | 1.00 | — | — | |
| SCHEMBL1357 | 0.89 | — | — | |
| SCHEMBL29859818 | 0.89 | — | — | |
| Fluoride SCHEMBL8137697 | 0.80 | — | — | |
| Methane SCHEMBL1005333 | 0.80 | — | — | |
| Water SCHEMBL6013041 | 0.80 | — | — | |
| SCHEMBL1485806 | 0.80 | — | — | |
| SCHEMBL2748583 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL3772231 | 0.80 | — | — |
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-6133473-A | FREE OF BY-PRODUCTS; PREPARED BY REACTING AN ISOCYANATE WITH A HYDROXYLATED COMPOUND OR OXIME IN THE PRESENCE OF CERTAIN CATALYSTS | ROHM AND HAAS COMPANY (US) | 2000-10-17 | — | — | US | disclosed |