⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL442291 | 0.71 | — | — | |
| SCHEMBL17426975 | 0.71 | — | — | |
| SCHEMBL24371878 | 0.71 | — | — | |
| Hydrochloric Acid SCHEMBL8798245 | 0.68 | — | — | |
| SCHEMBL25017800 | 0.67 | — | — | |
| SCHEMBL6922361 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL4534046 | 0.65 | — | — | |
| SCHEMBL685471 | 0.63 | — | — | |
| SCHEMBL27411426 | 0.63 | — | — | |
| SCHEMBL7877257 | 0.62 | — | — |
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-2023009475-A1 | ROCK2 INHIBITORS AND USES THEREOF | PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) | 2023-02-02 | — | — | WO | disclosed |