⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7809795 | 0.84 | — | — | |
| SCHEMBL8060711 | 0.80 | — | — | |
| SCHEMBL8099970 | 0.75 | KDM4E (0.32) | — | |
| SCHEMBL8100162 | 0.75 | HDAC1 (0.31) | — | |
| SCHEMBL8100132 | 0.75 | — | — | |
| SCHEMBL8099672 | 0.75 | — | — | |
| SCHEMBL8100256 | 0.73 | — | — | |
| SCHEMBL8060685 | 0.72 | — | — | |
| SCHEMBL8060728 | 0.72 | — | — | |
| SCHEMBL7808479 | 0.71 | KDM4E (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6042620-A | FOR DYEING KERATIN FIBERS SUCH AS HAIR | WELLA AG (DE) | 2000-03-28 | — | — | US | disclosed |