⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL20657264 | 0.97 | TSHR (0.32) | — | |
| SCHEMBL28006100 | 0.80 | — | — | |
| SCHEMBL4598634 | 0.78 | TSHR (0.33) | — | |
| SCHEMBL28070882 | 0.78 | — | — | |
| SCHEMBL27735133 | 0.76 | — | — | |
| SCHEMBL26858330 | 0.72 | — | — | |
| SCHEMBL27806552 | 0.72 | — | — | |
| Isopropyl Alcohol SCHEMBL9580346 | 0.72 | TSHR (0.33) | — | |
| Water SCHEMBL27578824 | 0.70 | ALDH1A1 (0.32) | — | |
| SCHEMBL28009597 | 0.70 | TDP1 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-105705483-A | Process for the preparation of iopamidol | 伯拉考成像股份公司 | 2016-06-22 | — | — | CN | disclosed |
| US-7704939-B2 | Surfactant | SANYO CHEMICAL INDUSTRIES, LTD. (JP) | 2010-04-27 | — | — | US | disclosed |
| US-20070167343-A1 | neutralized salt including alkylbenzenesulphonates (toluenesulfonic acid guanidine salt, toluenesulfonic acid DBU salt, toluenesulfonic acid DBN salt) for cleaning electonics | SANYO CHEMICAL INDUSTRIES, LTD. (JP) | 2007-07-19 | — | — | US | disclosed |