⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2428046 | 0.66 | KDM1A (0.34) | — | |
| Biphenyl SCHEMBL27604303 | 0.57 | ALDH1A1 (0.64) | — | |
| Biphenyl SCHEMBL20530383 | 0.57 | ALDH1A1 (0.64) | — | |
| Biphenyl SCHEMBL27786672 | 0.55 | ALDH1A1 (0.60) | — | |
| Biphenyl SCHEMBL332251 | 0.55 | ALDH1A1 (0.60) | — | |
| Biphenyl SCHEMBL10426646 | 0.55 | ALDH1A1 (0.60) | — | |
| Biphenyl SCHEMBL28657752 | 0.55 | ALDH1A1 (0.60) | — | |
| Biphenyl SCHEMBL583707 | 0.55 | ALDH1A1 (0.60) | — | |
| Biphenyl SCHEMBL27323433 | 0.55 | ALDH1A1 (0.60) | — | |
| SCHEMBL23239949 | 0.54 | ALDH1A1 (0.42) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1208077-B1 | 2-HYDROXY-5-AMINO-BIPHENYL-DERIVATIVES AND OXIDATIVE HAIR COLOURING AGENTS CONTAINING SAID COMPOUNDS | WELLA AG (DE) | 2004-04-21 | — | — | EP | claimed |