⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27325700 | 1.00 | — | — | |
| SCHEMBL30902046 | 1.00 | — | — | |
| SCHEMBL9270650 | 0.89 | — | — | |
| SCHEMBL292538 | 0.82 | PGD (0.32) | — | |
| SCHEMBL22458563 | 0.82 | PGD (0.32) | — | |
| SCHEMBL3949227 | 0.82 | PGD (0.32) | — | |
| SCHEMBL15659566 | 0.82 | PGD (0.32) | — | |
| SCHEMBL560668 | 0.82 | PGD (0.32) | — | |
| SCHEMBL12859372 | 0.82 | PGD (0.32) | — | |
| SCHEMBL12825900 | 0.79 | CYP3A4 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9464105-B2 | Hydroxylated KRN7000 analogue and use thereof | RIKEN (JP) | 2016-10-11 | — | — | US | disclosed |
| US-20150218199-A1 | HYDROXYLATED KRN7000 ANALOGUE AND USE THEREOF | RIKEN (JP) | 2015-08-06 | — | — | US | disclosed |
| EP-2881400-A1 | HYDROXYLATED KRN7000 ANALOGUE AND USE THEREOF | Riken (JP) | 2015-06-10 | — | — | EP | disclosed |