⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2721010 | 1.00 | — | — | |
| Acetaldehyde SCHEMBL7501450 | 0.80 | USP2 (0.48) | — | |
| Formic Acid SCHEMBL28146416 | 0.80 | USP2 (0.43) | — | |
| SCHEMBL854679 | 0.79 | USP2 (0.48) | — | |
| SCHEMBL3093350 | 0.76 | — | — | |
| SCHEMBL30534 | 0.76 | — | — | |
| SCHEMBL6013926 | 0.76 | — | — | |
| SCHEMBL490252 | 0.76 | — | — | |
| SCHEMBL1638881 | 0.76 | LMNA (0.53) | — | |
| SCHEMBL30754 | 0.76 | LMNA (0.53) | — |
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-2021035037-A1 | METHOD TO INCREASE SYSTEMIC BLOOD PRESSURE IN SHOCK | GEORGETOWN UNIVERSITY (US) | 2021-02-25 | — | — | WO | disclosed |