⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL300005 | 0.85 | — | — | |
| Phosphine SCHEMBL2985255 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL2831853 | 0.79 | — | — | |
| Iodide SCHEMBL2830952 | 0.79 | — | — | |
| Bromide SCHEMBL2831527 | 0.79 | — | — | |
| SCHEMBL294768 | 0.78 | — | — | |
| SCHEMBL17332118 | 0.76 | — | — | |
| SCHEMBL2462192 | 0.76 | — | — | |
| SCHEMBL8666183 | 0.72 | TSHR (0.35) | — | |
| SCHEMBL8665422 | 0.72 | — | — |
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-0568012-B1 | Bisphosphino alkanes | HOECHST AG (DE) | 1998-12-09 | — | — | EP | disclosed |
| EP-0568012-A2 | Bisphosphino alkanes | HOECHST AKTIENGESELLSCHAFT (DE) | 1993-11-03 | — | — | EP | disclosed |