⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9545118 | 0.82 | — | — | |
| SCHEMBL109272 | 0.78 | — | — | |
| SCHEMBL17474265 | 0.73 | — | — | |
| SCHEMBL9332382 | 0.68 | — | — | |
| SCHEMBL1723855 | 0.66 | — | — | |
| SCHEMBL2171589 | 0.62 | — | — | |
| SCHEMBL23389049 | 0.60 | CHRM1 (0.31) | — | |
| SCHEMBL16240694 | 0.60 | — | — | |
| SCHEMBL10765058 | 0.60 | — | — | |
| SCHEMBL2853251 | 0.60 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-5523424-A | REACTING A 3,3-BIS(TOSYL-, MESYLYL- OR HALOMETHYL)OXETANE AND A METAL AZIDE IN AN AQUEOUS SOLUTION CONTAINING A PHASE TRANSFER CATALYST | AEROJET-GENERAL CORPORATION (US) | 1996-06-04 | — | — | US | disclosed |
| WO-1992014695-A1 | NEW POLYIODATED COMPOUNDS, METHOD OF PREPARATION, CONTRAST PRODUCT CONTAINING THEM | GUERBET S.A. (FR) | 1992-09-03 | — | — | WO | disclosed |
| EP-0501875-A1 | Poly-iodinated compounds, process of preparation, contrast agents containing them | GUERBET S.A. (FR) | 1992-09-02 | — | — | EP | disclosed |