⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14619651 | 1.00 | — | — | |
| SCHEMBL2980359 | 1.00 | — | — | |
| SCHEMBL22857 | 0.85 | — | — | |
| SCHEMBL765541 | 0.85 | — | — | |
| SCHEMBL1087110 | 0.85 | — | — | |
| SCHEMBL2304860 | 0.85 | TSHR (0.50) | — | |
| SCHEMBL6578235 | 0.78 | TDP1 (0.42) | — | |
| SCHEMBL772803 | 0.76 | — | — | |
| SCHEMBL7912566 | 0.76 | — | — | |
| SCHEMBL4754346 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8796474-B1 | Macrolide compounds and methods and intermediates useful for their preparation | RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) | 2014-08-05 | — | — | US | disclosed |