⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3251017 | 0.86 | — | — | |
| SCHEMBL3245538 | 0.81 | — | — | |
| SCHEMBL11354984 | 0.69 | — | — | |
| SCHEMBL9245197 | 0.66 | — | — | |
| SCHEMBL29105106 | 0.66 | — | — | |
| SCHEMBL7723071 | 0.65 | — | — | |
| SCHEMBL3246344 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL28535798 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL7635751 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL3245540 | 0.63 | — | — |
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-6494946-B1 | PROCESSES FOR PREPARING A CARBON BLACK PRODUCT HAVING AN ORGANIC GROUP ATTACHED TO THE CARBON BLACK. IN ONE PROCESS AT LEAST ONE DIAZONIUM SALT REACTS WITH A CARBON BLACK IN THE ABSENCE OF AN EXTERNALLY APPLIED ELECTRIC CURRENT SUFFICIENT | CABOT CORPORATION | 2002-12-17 | — | — | US | disclosed |