⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26196776 | 0.76 | — | — | |
| SCHEMBL18968304 | 0.76 | — | — | |
| SCHEMBL12457868 | 0.76 | — | — | |
| SCHEMBL90576 | 0.76 | — | — | |
| SCHEMBL24568081 | 0.72 | — | — | |
| SCHEMBL24567596 | 0.72 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL24568095 | 0.72 | — | — | |
| SCHEMBL16173726 | 0.71 | — | — | |
| SCHEMBL25510694 | 0.70 | SMN1; SMN2 (0.41) | — | |
| SCHEMBL90798 | 0.68 | KMT2A (0.39) | — |
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-2022140428-A2 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2022-06-30 | — | — | WO | disclosed |