⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25803425 | 0.87 | TSHR (0.50) | — | |
| SCHEMBL4739297 | 0.87 | TSHR (0.50) | — | |
| SCHEMBL5275500 | 0.79 | DNM1 (0.45) | — | |
| SCHEMBL764183 | 0.77 | — | — | |
| SCHEMBL27937426 | 0.76 | — | — | |
| SCHEMBL197061 | 0.76 | — | — | |
| Bromide SCHEMBL28322823 | 0.76 | DNM1 (0.43) | — | |
| SCHEMBL23111394 | 0.73 | — | — | |
| SCHEMBL8156276 | 0.73 | DNM1 (0.48) | — | |
| SCHEMBL8909933 | 0.73 | — | — |
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-1434781-A1 | DIPHOSPHINE | BASF AKTIENGESELLSCHAFT (DE) | 2004-07-07 | — | — | EP | disclosed |
| WO-2003031457-A1 | DIPHOSPHINE | BASF AKTIENGESELLSCHAFT (DE) | 2003-04-17 | — | — | WO | disclosed |