⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8960646 | 0.84 | — | — | |
| SCHEMBL8897643 | 0.80 | — | — | |
| SCHEMBL8960348 | 0.70 | — | — | |
| SCHEMBL10705869 | 0.70 | — | — | |
| SCHEMBL913582 | 0.68 | — | — | |
| SCHEMBL10583707 | 0.67 | — | — | |
| SCHEMBL6764553 | 0.63 | — | — | |
| SCHEMBL3468674 | 0.61 | — | — | |
| SCHEMBL49181 | 0.61 | — | — | |
| SCHEMBL11713108 | 0.61 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0425907-B1 | Triphendioxazin dyes | BAYER AG (DE) | 1995-06-28 | — | — | EP | disclosed |
| US-4591643-A | Triphendioxazine reactive dyestuffs | BAYER AKTIENGESELLSCHAFT (DE) | 1986-05-27 | — | — | US | disclosed |
| EP-0144580-A2 | Triphendioxazine dyes | BAYER AG (DE) | 1985-06-19 | — | — | EP | disclosed |