⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6520216 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL27419892 | 0.75 | — | — | |
| SCHEMBL4489455 | 0.73 | — | — | |
| SCHEMBL24163431 | 0.71 | — | — | |
| SCHEMBL6858851 | 0.71 | — | — | |
| SCHEMBL3358931 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL16661459 | 0.69 | — | — | |
| SCHEMBL419777 | 0.69 | — | — | |
| SCHEMBL12345297 | 0.69 | — | — | |
| SCHEMBL18575560 | 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 |
|---|---|---|---|---|---|---|---|
| CN-116924929-A | Synthesis method of iobixin isomer | 重庆圣华曦药业股份有限公司 | 2023-10-24 | — | — | CN | disclosed |
| EP-0365541-B1 | PREPARATION OF 5-ACYLAMINO-2,4,6-TRIIODO- OR TRIBROMO-BENZOIC ACID DERIVATIVES | BRACCO S.p.A. (IT) | 1992-08-12 | — | — | EP | disclosed |
| US-5066823-A | Rearrangement reaction, contrast agent for radiology | BRACCO INDUSTRIA CHEMICA S.P.A. (IT) | 1991-11-19 | — | — | US | disclosed |
| EP-0365541-A1 | PREPARATION OF 5-ACYLAMINO-2,4,6-TRIIODO- OR TRIBROMO-BENZOIC ACID DERIVATIVES. | BRACCO IND CHIMICA SPA (IT) | 1990-05-02 | — | — | EP | disclosed |
| WO-1988009328-A1 | PREPARATION OF 5-ACYLAMINO-2,4,6-TRIIODO- OR TRIBROMO-BENZOIC ACID DERIVATIVES | BRACCO INDUSTRIA CHIMICA S.P.A. (IT) | 1988-12-01 | — | — | WO | disclosed |