⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1231204 | 0.97 | — | — | |
| SCHEMBL2733175 | 0.73 | — | — | |
| SCHEMBL10577977 | 0.71 | — | — | |
| Nitric Acid SCHEMBL8846584 | 0.67 | CA5A (0.40) | — | |
| Water SCHEMBL11126730 | 0.67 | — | — | |
| Ammonia Solution, Strong SCHEMBL9793362 | 0.67 | — | — | |
| SCHEMBL15570490 | 0.65 | ALDH1A1 (0.33) | — | |
| SCHEMBL11472576 | 0.63 | ALDH1A1 (0.32) | — | |
| SCHEMBL9901288 | 0.61 | — | — | |
| SCHEMBL17459063 | 0.57 | — | — |
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-0699468-B1 | Removal of olefins from fluids | BP CHEM INT LTD (GB) | 1998-03-11 | — | — | EP | disclosed |
| EP-0699468-A1 | Removal of olefins from mixtures thereof | BP Chemicals Limited (GB) | 1996-03-06 | — | — | EP | disclosed |