⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6625510 | 0.88 | — | — | |
| SCHEMBL6623652 | 0.79 | — | — | |
| SCHEMBL6968143 | 0.79 | — | — | |
| SCHEMBL17396992 | 0.76 | THRB (0.40) | — | |
| SCHEMBL31516168 | 0.76 | THRB (0.40) | — | |
| SCHEMBL5034231 | 0.76 | THRB (0.40) | — | |
| SCHEMBL22445024 | 0.72 | TSHR (0.38) | — | |
| SCHEMBL11203071 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL3965482 | 0.69 | — | — | |
| SCHEMBL3187175 | 0.69 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1532210-A1 | RYLENE DYES | BASF AKTIENGESELLSCHAFT (DE) | 2005-05-25 | — | — | EP | disclosed |
| WO-2004026965-A1 | RYLENE DYES | BASF AKTIENGESELLSCHAFT (DE) | 2004-04-01 | — | — | WO | disclosed |
| EP-1294708-A1 | QUINOPHTHALONE-DERIVATIVE BASED CRYSTALLIZATION MODIFIERS | BASF AKTIENGESELLSCHAFT (DE) | 2003-03-26 | — | — | EP | disclosed |
| WO-2002000643-A1 | QUINOPHTHALONE-DERIVATIVE BASED CRYSTALLIZATION MODIFIERS | BASF AKTIENGESELLSCHAFT (DE) | 2002-01-03 | — | — | WO | disclosed |