⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1273778 | 0.80 | — | — | |
| SCHEMBL2643994 | 0.80 | — | — | |
| Acetone SCHEMBL28173265 | 0.79 | HCAR2 (0.31) | — | |
| SCHEMBL4961404 | 0.78 | — | — | |
| SCHEMBL3259733 | 0.76 | — | — | |
| SCHEMBL1061187 | 0.76 | — | — | |
| SCHEMBL6208530 | 0.76 | — | — | |
| SCHEMBL19150296 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL28558701 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL5591159 | 0.74 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101851206-B | Method for preparing side chain for biapenem | Hunan ouya biology co ltd | 2011-07-20 | — | — | CN | disclosed |
| CN-101851206-A | Method for preparing green innovative side chain for biapenem | HUNAN OUYA BIOLOG CO LTD | 2010-10-06 | — | — | CN | disclosed |
| WO-2002066425-A2 | COMPOSITIONS AND METHODS FOR HYDRATION OF TERMINAL ALKYNES | SAN DIEGO STATE UNIVERSITY FOUNDATION (US) | 2002-08-29 | — | — | WO | disclosed |