⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27369594 | 0.79 | — | — | |
| SCHEMBL9284615 | 0.77 | — | — | |
| SCHEMBL8215412 | 0.76 | — | — | |
| SCHEMBL8674456 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL8207272 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL7087333 | 0.70 | — | — | |
| Fluoride SCHEMBL1131341 | 0.70 | — | — | |
| SCHEMBL3838550 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL617837 | 0.70 | — | — | |
| SCHEMBL8678616 | 0.68 | — | — |
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-0694557-A2 | Organo metallic compounds | HOECHST AKTIENGESELLSCHAFT (DE) | 1996-01-31 | — | — | EP | disclosed |