⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL811861 | 0.99 | — | — | |
| SCHEMBL4497661 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL811373 | 0.92 | — | — | |
| SCHEMBL3835192 | 0.91 | MEN1 (0.30) | — | |
| Hydrochloric Acid SCHEMBL811292 | 0.90 | — | — | |
| SCHEMBL4504373 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL812867 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL812141 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL812471 | 0.89 | — | — | |
| SCHEMBL4504847 | 0.88 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1661921-A1 | Synthetic lubricating oil and lubricating oil composition thereof | Mitsui Chemicals, Inc. (JP) | 2006-05-31 | — | — | EP | disclosed |