⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL453353 | 0.91 | — | — | |
| SCHEMBL9978993 | 0.87 | — | — | |
| SCHEMBL6520741 | 0.87 | — | — | |
| SCHEMBL7545315 | 0.79 | — | — | |
| SCHEMBL6522623 | 0.78 | ATM (0.31) | — | |
| SCHEMBL198169 | 0.78 | — | — | |
| SCHEMBL170562 | 0.78 | — | — | |
| SCHEMBL7992044 | 0.77 | KDM4E (0.34) | — | |
| SCHEMBL7739849 | 0.76 | CYP1A2 (0.40) | — | |
| SCHEMBL7491521 | 0.76 | CYP1A2 (0.40) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2002044284-A1 | TRISAZO DYES | BASF AKTIENGESELLSCHAFT (DE) | 2002-06-06 | — | — | WO | disclosed |