⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1978397 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL7478987 | 0.70 | — | — | |
| SCHEMBL10634199 | 0.67 | — | — | |
| Trimethylammonium SCHEMBL5462922 | 0.60 | — | — | |
| Trimethylammonium SCHEMBL8422100 | 0.60 | — | — | |
| Trimethylammonium SCHEMBL27817477 | 0.56 | — | — | |
| SCHEMBL641238 | 0.52 | — | — | |
| Trimethylammonium SCHEMBL27447689 | 0.52 | — | — | |
| SCHEMBL264071 | 0.52 | — | — | |
| Fluoride SCHEMBL9109082 | 0.48 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| JP-2007186426-A | METHOD FOR PRODUCING BISPHOSPHINOYLAMINOMETHANES | NATIONAL INSTITUTE OF ADVANCED INDUSTRIAL & TECHNOLOGY | 2007-07-26 | — | — | JP | disclosed |