⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9812406 | 1.00 | — | — | |
| SCHEMBL28519075 | 0.69 | — | — | |
| SCHEMBL27283 | 0.69 | — | — | |
| SCHEMBL10524387 | 0.69 | — | — | |
| SCHEMBL7780990 | 0.69 | — | — | |
| SCHEMBL27282 | 0.69 | — | — | |
| SCHEMBL15338800 | 0.69 | — | — | |
| SCHEMBL7780988 | 0.69 | — | — | |
| SCHEMBL10524391 | 0.69 | — | — | |
| SCHEMBL10718734 | 0.69 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0280120-B1 | ELECTROCHEMICAL PROCESS FOR THE EXCHANGE OF HALOGEN ATOMS IN AN ORGANIC COMPOUND | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-07-24 | — | — | EP | claimed |
| US-4800012-A | Electrochemical process for the replacement of halogen atoms in an organic compound | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-01-24 | — | — | US | claimed |
| EP-0280120-A1 | Electrochemical process for the exchange of halogen atoms in an organic compound | HOECHST AKTIENGESELLSCHAFT (DE) | 1988-08-31 | — | — | EP | claimed |
| EP-0280120-B1 | ELECTROCHEMICAL PROCESS FOR THE EXCHANGE OF HALOGEN ATOMS IN AN ORGANIC COMPOUND | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-07-24 | — | — | EP | disclosed |
| US-4800012-A | Electrochemical process for the replacement of halogen atoms in an organic compound | HOECHST AKTIENGESELLSCHAFT (DE) | 1989-01-24 | — | — | US | disclosed |