⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3360666 | 0.88 | — | — | |
| SCHEMBL3359204 | 0.81 | MAPT (0.40) | — | |
| SCHEMBL3359354 | 0.81 | KDM4E (0.30) | — | |
| SCHEMBL7766402 | 0.78 | MEN1 (0.43) | — | |
| SCHEMBL7766409 | 0.78 | MEN1 (0.43) | — | |
| SCHEMBL2454809 | 0.72 | — | — | |
| SCHEMBL7766325 | 0.72 | MEN1 (0.38) | — | |
| SCHEMBL2454811 | 0.72 | — | — | |
| SCHEMBL7766334 | 0.72 | MEN1 (0.38) | — | |
| SCHEMBL3237998 | 0.72 | — | — |
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 |