⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL271597 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL29264904 | 0.78 | — | — | |
| Tetrazole SCHEMBL28950906 | 0.73 | — | — | |
| Tetrazole SCHEMBL21173612 | 0.72 | — | — | |
| Tetrazole SCHEMBL5567046 | 0.68 | — | — | |
| Tetrazole SCHEMBL27658343 | 0.68 | — | — | |
| Tetrazole SCHEMBL7704940 | 0.68 | — | — | |
| Tetrazole SCHEMBL27535625 | 0.67 | CA5A (0.36) | — | |
| Tetrazole SCHEMBL28018670 | 0.66 | ALDH1A1 (0.43) | — | |
| Tetrazole SCHEMBL877 | 0.63 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103249841-B | Be used for method and the kit of the differential dyeing of abnormal urinary system cell | ZETIQ TECHNOLOGIES LTD. (IL) | 2016-05-04 | — | — | CN | disclosed |
| EP-1131631-A4 | IN SITU METHOD OF ANALYZING CELLS | APPLIED SPECTRAL IMAGING LTD (IL) | 2002-11-04 | — | — | EP | disclosed |
| EP-1131631-A1 | IN SITU METHOD OF ANALYZING CELLS | Applied Spectral Imaging Ltd. (IL) | 2001-09-12 | — | — | EP | disclosed |
| WO-2000031534-A1 | IN SITU METHOD OF ANALYZING CELLS | APPLIED SPECTRAL IMAGING LTD. (IL) | 2000-06-02 | — | — | WO | disclosed |