⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6828006 | 0.71 | TSHR (0.34) | — | |
| SCHEMBL6823934 | 0.71 | TSHR (0.34) | — | |
| SCHEMBL4587958 | 0.68 | TSHR (0.31) | — | |
| SCHEMBL8757376 | 0.67 | — | — | |
| SCHEMBL14899639 | 0.66 | EPHX1 (0.46) | — | |
| SCHEMBL12361092 | 0.66 | EPHX1 (0.46) | — | |
| SCHEMBL7564091 | 0.66 | EPHX1 (0.46) | — | |
| SCHEMBL4250101 | 0.66 | — | — | |
| SCHEMBL27504653 | 0.66 | — | — | |
| SCHEMBL17633 | 0.66 | — | — |
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-0853626-A1 | SUBSTITUTED PHOSPHINIC COMPOUNDS AND THEIR USE AS PHARMACEUTICALS | Novartis AG (CH) | 1998-07-22 | — | — | EP | disclosed |
| WO-1997009335-A1 | SUBSTITUTED PHOSPHINIC COMPOUNDS AND THEIR USE AS PHARMACEUTICALS | NOVARTIS AG (CH) | 1997-03-13 | — | — | WO | disclosed |