⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14972512 | 0.92 | CA2 (0.33) | — | |
| SCHEMBL21054502 | 0.83 | — | — | |
| SCHEMBL159130 | 0.78 | — | — | |
| SCHEMBL6582271 | 0.77 | — | — | |
| SCHEMBL6582266 | 0.77 | — | — | |
| SCHEMBL30233459 | 0.75 | — | — | |
| SCHEMBL9077478 | 0.73 | — | — | |
| Ethylene SCHEMBL29032527 | 0.71 | TSHR (0.31) | — | |
| Ethylene SCHEMBL15771259 | 0.71 | TSHR (0.31) | — | |
| Ethylene SCHEMBL2428158 | 0.71 | — | — |
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-1951657-A1 | PROCESS FOR THE MANUFACTURE OF IOHEXOL | Hovione Inter Ltd. (CH) | 2008-08-06 | — | — | EP | disclosed |
| WO-2007060380-A1 | PROCESS FOR THE MANUFACTURE OF IOHEXOL | HOVIONE INTER LTD (CH) | 2007-05-31 | — | — | WO | disclosed |
| EP-1660472-A1 | ARYL PIPERIDINE AMIDES | JANSSEN PHARMACEUTICA N.V. (BE) | 2006-05-31 | — | — | EP | disclosed |
| WO-2005021525-A1 | ARYL PIPERIDINE AMIDES | JANSSEN PHARMACEUTICA, N.V. (BE) | 2005-03-10 | — | — | WO | disclosed |
| EP-0027940-B1 | PROCESS FOR PREPARING URETHANES | BAYER AG (DE) | 1983-09-14 | — | — | EP | disclosed |