⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6626250 | 0.86 | — | — | |
| SCHEMBL6236719 | 0.79 | — | — | |
| SCHEMBL17396992 | 0.75 | THRB (0.40) | — | |
| SCHEMBL31516168 | 0.75 | THRB (0.40) | — | |
| SCHEMBL5034231 | 0.75 | THRB (0.40) | — | |
| SCHEMBL6232509 | 0.74 | — | — | |
| SCHEMBL3187175 | 0.72 | — | — | |
| SCHEMBL9421489 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL9668013 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL9670647 | 0.69 | TSHR (0.35) | — |
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-1373214-A1 | RYLENE DERIVATIVES AND THEIR USE AS DYES | BASF AKTIENGESELLSCHAFT (DE) | 2004-01-02 | — | — | EP | disclosed |
| WO-2002066438-A1 | RYLENE DERIVATIVES AND THEIR USE AS DYES | BASF AKTIENGESELLSCHAFT (DE) | 2002-08-29 | — | — | WO | disclosed |
| EP-1206456-A1 | THERMOCHROMIC RYLENE DYES | BASF AKTIENGESELLSCHAFT (DE) | 2002-05-22 | — | — | EP | disclosed |
| WO-2001016109-A1 | THERMOCHROMIC RYLENE DYES | BASF AKTIENGESELLSCHAFT (DE) | 2001-03-08 | — | — | WO | disclosed |