⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL75716 | 0.67 | — | — | |
| SCHEMBL4407821 | 0.65 | — | — | |
| SCHEMBL4402500 | 0.62 | ALDH1A1 (0.33) | — | |
| SCHEMBL4404333 | 0.61 | ALDH1A1 (0.33) | — | |
| SCHEMBL11103369 | 0.58 | — | — | |
| SCHEMBL4406031 | 0.57 | NOTUM (0.33) | — | |
| SCHEMBL1521273 | 0.46 | — | — | |
| SCHEMBL12324057 | 0.44 | — | — | |
| SCHEMBL1468768 | 0.36 | — | — | |
| SCHEMBL18205013 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1859782-B1 | Composition for coloring and/or lightening human hair comprising tetrazoles | HENKEL AG & CO KGAA (DE) | 2009-12-30 | — | — | EP | disclosed |
| EP-1859782-A1 | Composition for coloring and/or lightening human hair comprising tetrazoles | Henkel Kommanditgesellschaft auf Aktien (DE) | 2007-11-28 | — | — | EP | disclosed |
| WO-1994017075-A1 | DIAZEPIN DERIVATIVES AND ANTIVIRAL COMPOSITIONS | A. MENARINI INDUSTRIE FARMACEUTICHE RIUNITE S.R.L. (IT) | 1994-08-04 | — | — | WO | disclosed |