⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14720606 | 0.81 | — | — | |
| SCHEMBL16782683 | 0.81 | — | — | |
| SCHEMBL16782692 | 0.81 | — | — | |
| SCHEMBL20191464 | 0.80 | — | — | |
| SCHEMBL14669581 | 0.72 | — | — | |
| SCHEMBL14721167 | 0.69 | — | — | |
| SCHEMBL14721165 | 0.69 | — | — | |
| SCHEMBL19506810 | 0.69 | — | — | |
| SCHEMBL12151420 | 0.68 | — | — | |
| SCHEMBL15781987 | 0.67 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016057798-A1 | 14-MEMBERED KETOLIDES AND METHODS OF THEIR PREPARATION AND USE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2016-04-14 | — | — | WO | disclosed |
| WO-2014165792-A2 | MACROLIDES AND METHODS OF THEIR PREPARATION AND USE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2014-10-09 | — | — | WO | disclosed |