⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12589581 | 0.82 | CA12 (0.59) | — | |
| SCHEMBL196815 | 0.82 | — | — | |
| SCHEMBL450298 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL1876862 | 0.80 | CA12 (0.57) | — | |
| Iodide SCHEMBL30042709 | 0.80 | CA12 (0.57) | — | |
| Hydrochloric Acid SCHEMBL8143027 | 0.80 | CA12 (0.57) | — | |
| SCHEMBL65107 | 0.79 | CA12 (0.61) | — | |
| SCHEMBL10838607 | 0.78 | CA12 (0.55) | — | |
| SCHEMBL3571272 | 0.78 | CA12 (0.55) | — | |
| SCHEMBL288560 | 0.78 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0852028-A1 | BLACK-AND-WHITE PHOTOTHERMOGRAPHIC AND THERMOGRAPHIC ELEMENTS COMPRISING HYDROXAMIC ACID COMPOUNDS AS CONTRAST ENHANCERS | Imation Corp. (US) | 1998-07-08 | — | — | EP | disclosed |
| WO-1997011410-A1 | BLACK-AND-WHITE PHOTOTHERMOGRAPHIC AND THERMOGRAPHIC ELEMENTS COMPRISING HYDROXAMIC ACID COMPOUNDS AS CONTRAST ENHANCERS | IMATION CORP. (US) | 1997-03-27 | — | — | WO | disclosed |