⚠ 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 | |
|---|---|---|---|---|
| Carbon Monoxide SCHEMBL7560530 | 0.86 | — | — | |
| SCHEMBL11507075 | 0.65 | — | — | |
| SCHEMBL578740 | 0.65 | — | — | |
| SCHEMBL52594 | 0.62 | — | — | |
| SCHEMBL517101 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL937942 | 0.62 | — | — | |
| Bromide SCHEMBL1539754 | 0.62 | — | — | |
| Water SCHEMBL7735107 | 0.62 | — | — | |
| Hydrochloric Acid SCHEMBL1274957 | 0.62 | — | — | |
| Methane SCHEMBL9170319 | 0.62 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6365762-B1 | IN THE PRESENCE OF A RHENIUM CONTAINING CATALYST | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) | 2002-04-02 | — | — | US | disclosed |
| US-6303828-B1 | ORGANORHENIUM COMPOUNDS | AVENTIS RESEARCH & TECHNOLOGIES GMBH & CO. KG (DE) | 2001-10-16 | — | — | US | disclosed |