⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14590431 | 1.00 | — | — | |
| SCHEMBL18541811 | 1.00 | — | — | |
| SCHEMBL8220002 | 1.00 | — | — | |
| SCHEMBL8000109 | 1.00 | — | — | |
| SCHEMBL18823931 | 0.80 | — | — | |
| SCHEMBL881440 | 0.80 | — | — | |
| SCHEMBL13191302 | 0.80 | — | — | |
| SCHEMBL13061578 | 0.80 | — | — | |
| SCHEMBL14198746 | 0.80 | — | — | |
| SCHEMBL5552526 | 0.80 | — | — |
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-2970303-B3 | SUBSTITUTED XANTHINES AND METHODS OF USE THEREOF | HYDRA BIOSCIENCES INC (US) | 2018-08-01 | — | — | EP | disclosed |
| WO-2010138842-A1 | KETAL ESTERS OF ANHYDROPENTITOLS AND USES THEREOF | XLTERRA, INC. (US) | 2010-12-02 | — | — | WO | disclosed |