⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2802113 | 0.90 | — | — | |
| SCHEMBL9143593 | 0.87 | — | — | |
| SCHEMBL9145447 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL17747504 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL17747507 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL7576673 | 0.76 | — | — | |
| Carbon Monoxide SCHEMBL3289966 | 0.75 | — | — | |
| SCHEMBL4651491 | 0.74 | — | — | |
| Carbon Monoxide SCHEMBL3293994 | 0.73 | — | — | |
| SCHEMBL9141985 | 0.72 | — | — |
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-4361497-A | Polymer-bound cyclopentadiene metal carbonyl compounds and their ligand substitution derivatives | Brintzinger, Hans H. (DE) | 1982-11-30 | — | — | US | disclosed |