⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7921712 | 0.81 | — | — | |
| SCHEMBL12196225 | 0.79 | — | — | |
| SCHEMBL4591609 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL8258119 | 0.79 | — | — | |
| SCHEMBL728797 | 0.79 | — | — | |
| SCHEMBL19658189 | 0.76 | THRA (0.32) | — | |
| SCHEMBL21957841 | 0.76 | — | — | |
| SCHEMBL31145698 | 0.76 | — | — | |
| SCHEMBL25714927 | 0.76 | CHRM2 (0.31) | — | |
| SCHEMBL7931427 | 0.76 | PPM1B (0.36) | — |
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-2016057798-A1 | 14-MEMBERED KETOLIDES AND METHODS OF THEIR PREPARATION AND USE | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2016-04-14 | — | — | WO | disclosed |