⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12306261 | 0.95 | — | — | |
| SCHEMBL156352 | 0.93 | — | — | |
| SCHEMBL12306264 | 0.91 | ALDH1A1 (0.30) | — | |
| SCHEMBL25124073 | 0.80 | POLB (0.30) | — | |
| SCHEMBL7399717 | 0.79 | — | — | |
| SCHEMBL12306257 | 0.78 | NPSR1 (0.31) | — | |
| SCHEMBL12013174 | 0.77 | ALDH1A1 (0.38) | — | |
| SCHEMBL11243621 | 0.77 | — | — | |
| SCHEMBL16487732 | 0.76 | — | — | |
| SCHEMBL263136 | 0.75 | ALDH1A1 (0.37) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8445476-B2 | Carbacephem β-lactam antibiotics | ACHAOGEN, INC. (US) | 2013-05-21 | — | — | US | disclosed |
| US-20110224186-A1 | CARBACEPHEM BETA-LACTAM ANTIBIOTICS | ACHAOGEN, INC. (US) | 2011-09-15 | — | — | US | disclosed |
| US-20100267686-A1 | CARBACEPHEM BETA-LACTAM ANTIBIOTICS | ACHAOGEN, INC. (US) | 2010-10-21 | — | — | US | disclosed |