⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21026422 | 0.75 | — | — | |
| SCHEMBL21653397 | 0.75 | — | — | |
| SCHEMBL19513804 | 0.75 | — | — | |
| SCHEMBL4257130 | 0.75 | — | — | |
| SCHEMBL15535909 | 0.75 | — | — | |
| SCHEMBL10044575 | 0.75 | — | — | |
| SCHEMBL16794643 | 0.75 | — | — | |
| SCHEMBL10992408 | 0.73 | AURKB (0.72) | — | |
| SCHEMBL574325 | 0.70 | TTK (0.44) | — | |
| SCHEMBL10992852 | 0.69 | AURKB (0.67) | — |
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-2002096382-A1 | DEVELOPER COMPONENTS FOR OXIDATION HAIR DYES | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2002-12-05 | — | — | WO | claimed |