⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21625979 | 0.80 | EPHX2 (0.30) | — | |
| SCHEMBL24276100 | 0.80 | USP2 (0.38) | — | |
| SCHEMBL24760683 | 0.80 | EPHX2 (0.30) | — | |
| SCHEMBL7196134 | 0.72 | CA1 (0.34) | — | |
| SCHEMBL18606070 | 0.72 | — | — | |
| SCHEMBL15129927 | 0.72 | — | — | |
| SCHEMBL791557 | 0.72 | — | — | |
| SCHEMBL4905915 | 0.71 | ALDH1A1 (0.42) | — | |
| SCHEMBL21625956 | 0.71 | — | — | |
| SCHEMBL15359110 | 0.70 | — | — |
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-3464336-B1 | COMPOUNDS | ATHIRA PHARMA INC (US) | 2022-03-16 | — | — | EP | disclosed |
| WO-2017210489-A1 | COMPOUNDS | M3 BIOTECHNOLOGY, INC. (US) | 2017-12-07 | — | — | WO | disclosed |