⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15344732 | 0.90 | TUBB4A (0.30) | — | |
| SCHEMBL14234971 | 0.88 | PDE4A (0.33) | — | |
| SCHEMBL806847 | 0.84 | TUBB4A (0.33) | — | |
| SCHEMBL16455214 | 0.83 | TUBB4A (0.30) | — | |
| SCHEMBL23736085 | 0.81 | PDE4A (0.33) | — | |
| SCHEMBL806691 | 0.77 | GAA (0.33) | — | |
| SCHEMBL16455038 | 0.76 | TUBB4A (0.33) | — | |
| SCHEMBL25985758 | 0.72 | PDE4A (0.34) | — | |
| SCHEMBL15727223 | 0.71 | CCNT1 (0.35) | — | |
| SCHEMBL15750368 | 0.71 | CCNT1 (0.35) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013138187-A1 | BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS | THE SCRIPPS RESEARCH INSTITUTE (US) | 2013-09-19 | — | — | WO | disclosed |
| WO-2012036907-A2 | BROAD SPECTRUM ANTIBIOTIC ARYLOMYCIN ANALOGS | ROMESBERG FLOYD E (US) | 2012-03-22 | — | — | WO | disclosed |