⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20802097 | 1.00 | — | — | |
| SCHEMBL9611970 | 1.00 | — | — | |
| SCHEMBL903340 | 1.00 | — | — | |
| SCHEMBL22965652 | 1.00 | — | — | |
| SCHEMBL38019 | 0.88 | — | — | |
| SCHEMBL16134383 | 0.84 | THRB (0.33) | — | |
| SCHEMBL1079117 | 0.84 | THRB (0.33) | — | |
| SCHEMBL16134390 | 0.84 | THRB (0.33) | — | |
| SCHEMBL15579024 | 0.84 | THRB (0.33) | — | |
| SCHEMBL1079119 | 0.84 | THRB (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3156410-A1 | POLYENE MACROLIDE DERIVATIVE | SHIONOGI & CO., LTD. (JP) | 2017-04-19 | — | — | EP | disclosed |
| WO-2017030685-A1 | ONE-POT SYNTHESIS OF ANHYDROPENTITOL MONO- AND DIETHERS | ARCHER DANIELS MIDLAND COMPANY (US) | 2017-02-23 | — | — | WO | disclosed |