⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8672344 | 0.82 | TSHR (0.53) | — | |
| SCHEMBL2879303 | 0.79 | — | — | |
| SCHEMBL443292 | 0.72 | — | — | |
| SCHEMBL7606865 | 0.71 | — | — | |
| SCHEMBL55033 | 0.67 | TSHR (0.53) | — | |
| SCHEMBL216495 | 0.67 | — | — | |
| SCHEMBL55418 | 0.67 | — | — | |
| SCHEMBL3411076 | 0.67 | — | — | |
| SCHEMBL7576518 | 0.65 | — | — | |
| SCHEMBL11854278 | 0.65 | TSHR (0.50) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7847126-B2 | prepared by reacting phosphorus halide with organomagnesium compound in presence of copper compound; di(tert-butyl)phenylphosphonium tetrafluoroborate, for example | LANXESS DEUTSCHLAND GMBH (DE) | 2010-12-07 | — | — | US | disclosed |
| US-20070299273-A1 | prepared by reacting phosphorus halide with organomagnesium compound in presence of copper compound; di(tert-butyl)phenylphosphonium tetrafluoroborate, for example | LANXESS DEUTSCHLAND GMBH (DE) | 2007-12-27 | — | — | US | disclosed |
| US-7230136-B2 | Reacting phosphorus halide with organomagnesium compound in presence of copper compound | LANXESS DEUTSCHLAND GMBH (DE) | 2007-06-12 | — | — | US | disclosed |
| US-20030229240-A1 | Reacting phosphorus halide with organomagnesium compound in presence of copper compound | LANXESS DEUTSCHLAND GMBH (DE) | 2003-12-11 | — | — | US | disclosed |
| EP-1354886-A1 | Process for the preparation of tertiary phosphines | Bayer Aktiengesellschaft (DE) | 2003-10-22 | — | — | EP | disclosed |