⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL91335 | 0.95 | — | — | |
| SCHEMBL28031030 | 0.95 | — | — | |
| SCHEMBL27785559 | 0.90 | — | — | |
| SCHEMBL27726378 | 0.90 | — | — | |
| Ammonia Solution, Strong SCHEMBL2728796 | 0.90 | — | — | |
| SCHEMBL967872 | 0.90 | — | — | |
| Hno SCHEMBL28133861 | 0.86 | — | — | |
| Methyl Alcohol SCHEMBL1921662 | 0.86 | — | — | |
| Formaldehyde SCHEMBL27810513 | 0.86 | — | — | |
| Propane SCHEMBL25176772 | 0.82 | — | — |
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-5562887-A | Purification of alkyl nitrite-containing exhaust gases | BAYER AKTIENGESELLSCHAFT (DE) | 1996-10-08 | — | — | US | disclosed |