⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12192065 | 0.67 | PTGS2 (0.31) | — | |
| SCHEMBL12785465 | 0.66 | — | — | |
| SCHEMBL8333914 | 0.63 | — | — | |
| SCHEMBL14124206 | 0.63 | — | — | |
| SCHEMBL23727676 | 0.62 | NR4A1 (0.34) | — | |
| SCHEMBL15580348 | 0.62 | — | — | |
| SCHEMBL1785386 | 0.60 | — | — | |
| SCHEMBL23905514 | 0.60 | F2 (0.30) | — | |
| SCHEMBL19915988 | 0.60 | CA1 (0.32) | — | |
| SCHEMBL576511 | 0.58 | ALDH1A1 (0.35) | — |
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-2018087767-A1 | PROCESS FOR THE PREPARATION OF HU-910 AND CRYSTALLINE STRUCTURE THEREOF | YISSUM RESEARCH DEVELOPMENT COMPANY OF THE HEBREW UNIVERSITY OF JERUSALEM LTD. (IL) | 2018-05-17 | — | — | WO | disclosed |