⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4406020 | 0.83 | CYP19A1 (0.30) | — | |
| SCHEMBL4405937 | 0.80 | ALDH1A1 (0.32) | — | |
| SCHEMBL4405275 | 0.79 | CYP19A1 (0.34) | — | |
| SCHEMBL4414814 | 0.78 | — | — | |
| SCHEMBL4408125 | 0.77 | CYP19A1 (0.36) | — | |
| SCHEMBL4407045 | 0.67 | — | — | |
| SCHEMBL17662683 | 0.65 | — | — | |
| SCHEMBL4407095 | 0.65 | — | — | |
| SCHEMBL4415070 | 0.65 | — | — | |
| SCHEMBL4408671 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016019233-A1 | INHIBITORS OF BRUTON'S TYROSINE KINASE | PHARMACYCLICS LLC (US) | 2016-02-04 | — | — | WO | disclosed |
| 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 |