⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9557582 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL28201993 | 0.86 | — | — | |
| SCHEMBL28263692 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL5962572 | 0.86 | — | — | |
| SCHEMBL7162276 | 0.86 | — | — | |
| SCHEMBL27999525 | 0.86 | — | — | |
| SCHEMBL27999319 | 0.86 | — | — | |
| Benzene SCHEMBL27633283 | 0.76 | — | — | |
| SCHEMBL7456544 | 0.67 | — | — | |
| Formic Acid SCHEMBL7782247 | 0.57 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7335343-B2 | Reacting iron with carbon monoxide in suspension in the presence of a sulfur catalyst of a mixture of alkali metal sulfide and sulfur | BASF AKTIENGESELLSCHAFT (DE) | 2008-02-26 | — | — | US | disclosed |
| US-7276220-B2 | Preparation of iron pentacarbonyl | BASF AKTIENGESELLSCHAFT (DE) | 2007-10-02 | — | — | US | disclosed |
| US-20050135987-A1 | Preparation of iron pentacarbonyl | BASF AKTIENGESELLSCHAFT (DE) | 2005-06-23 | — | — | US | disclosed |
| US-20050129605-A1 | Reacting iron with carbon monoxide in suspension in the presence of a sulfur catalyst of a mixture of alkali metal sulfide and sulfur | BASF AKTIENGESELLSCHAFT (DE) | 2005-06-16 | — | — | US | disclosed |