⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28845941 | 0.80 | APLNR (0.34) | — | |
| SCHEMBL7749699 | 0.80 | APLNR (0.34) | — | |
| Hydrochloric Acid SCHEMBL9779724 | 0.78 | APLNR (0.33) | — | |
| SCHEMBL29118311 | 0.78 | EPHX1 (0.32) | — | |
| SCHEMBL28884833 | 0.73 | — | — | |
| SCHEMBL10000238 | 0.69 | — | — | |
| SCHEMBL27278709 | 0.68 | — | — | |
| SCHEMBL16053639 | 0.68 | — | — | |
| SCHEMBL11625869 | 0.67 | IDH1 (0.31) | — | |
| SCHEMBL10663951 | 0.67 | TSHR (0.30) | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108947959-B | Preparation method of non-ionic iodine contrast agent intermediate | 正大天晴药业集团股份有限公司 | 2022-09-20 | — | — | CN | claimed |
| CN-109134289-B | Synthetic method and application of contrast agent intermediate | 成都西岭源药业有限公司 | 2021-06-11 | — | — | CN | claimed |
| CN-109134289-A | A kind of efficient contrast agent synthetic method and its application | 成都西岭源药业有限公司 | 2019-01-04 | — | — | CN | claimed |
| 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 |
| CN-116120201-A | Improved method for synthesizing iobialcohol | 重庆圣华曦药业股份有限公司 | 2023-05-16 | — | — | CN | disclosed |
| CN-108947959-B | Preparation method of non-ionic iodine contrast agent intermediate | 正大天晴药业集团股份有限公司 | 2022-09-20 | — | — | CN | disclosed |
| CN-108947959-B | Preparation method of non-ionic iodine contrast agent intermediate | 正大天晴药业集团股份有限公司 | 2022-09-20 | — | — | CN | disclosed |
| CN-109134289-B | Synthetic method and application of contrast agent intermediate | 成都西岭源药业有限公司 | 2021-06-11 | — | — | CN | disclosed |
| US-10836711-B2 | Method for the one-pot production of organo-iodinated compounds | GUERBET (FR) | 2020-11-17 | — | — | US | disclosed |
| US-10836711-B2 | Method for the one-pot production of organo-iodinated compounds | GUERBET (FR) | 2020-11-17 | — | — | US | disclosed |
| CN-109134289-A | A kind of efficient contrast agent synthetic method and its application | 成都西岭源药业有限公司 | 2019-01-04 | — | — | CN | disclosed |
| CN-108947959-A | A kind of preparation method of non-ionic diodone intermediate | 正大天晴药业集团股份有限公司 | 2018-12-07 | — | — | CN | disclosed |
| CN-108947959-A | A kind of preparation method of non-ionic diodone intermediate | 正大天晴药业集团股份有限公司 | 2018-12-07 | — | — | CN | disclosed |
| EP-0901460-B1 | A PROCESS FOR THE PREPARATION OF 5-AMINO-2,4,6-TRIIODO-1,3-BENZENEDICARBOXYLIC ACID DERIVATIVES | BRACCO IMAGING SPA (IT) | 2002-09-18 | — | — | EP | disclosed |
| US-5043152-A | Radiography | GUERBET S.A. (FR) | 1991-08-27 | — | — | US | disclosed |
| US-4725620-A | 2H-pyran-2,6-(3H)-dione derivatives with anti-allergic activity | ALLERGAN, INC. (US) | 1988-02-16 | — | — | US | disclosed |