⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL911214 | 0.82 | DPP4 (0.32) | — | |
| SCHEMBL4966199 | 0.71 | — | — | |
| SCHEMBL9713104 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL5933730 | 0.69 | — | — | |
| SCHEMBL14198681 | 0.69 | — | — | |
| SCHEMBL9788225 | 0.66 | — | — | |
| SCHEMBL2184100 | 0.64 | ALDH1A1 (0.33) | — | |
| SCHEMBL17607492 | 0.64 | — | — | |
| SCHEMBL10892870 | 0.64 | TSHR (0.41) | — | |
| SCHEMBL10655939 | 0.64 | TSHR (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010030811-A2 | CARBACEPHEM β-LACTAM ANTIBIOTICS | ACHAOGEN, INC. (US) | 2010-03-18 | — | — | WO | disclosed |