⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29316768 | 0.82 | CHRNB2 (0.34) | — | |
| SCHEMBL539232 | 0.76 | — | — | |
| SCHEMBL4252462 | 0.73 | — | — | |
| SCHEMBL9970755 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL20912653 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL7011143 | 0.73 | — | — | |
| SCHEMBL15079083 | 0.73 | — | — | |
| SCHEMBL23080839 | 0.73 | — | — | |
| SCHEMBL18968302 | 0.73 | — | — | |
| SCHEMBL23746975 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3490989-B1 | COVALENT INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS INC (US) | 2020-09-09 | — | — | EP | disclosed |