⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL55913 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL285086 | 0.95 | — | — | |
| Hydrochloric Acid SCHEMBL4696499 | 0.95 | GMNN (0.32) | — | |
| Hydrochloric Acid SCHEMBL1845285 | 0.95 | — | — | |
| Butane SCHEMBL4889028 | 0.84 | OPRM1 (0.36) | — | |
| SCHEMBL1883921 | 0.82 | — | — | |
| SCHEMBL2230312 | 0.82 | — | — | |
| Ethylene Glycol SCHEMBL8823004 | 0.82 | TSHR (0.33) | — | |
| Formic Acid SCHEMBL23405875 | 0.79 | ADH1B (0.32) | — | |
| SCHEMBL10580773 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1998055602-A9 | SCREENING FOR PHOSPHATIDYLINOSITOL RELATED-KINASE INHIBITORS | MAYO FOUNDATION (US) | 1999-04-08 | — | — | WO | disclosed |