⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18911780 | 0.86 | — | — | |
| SCHEMBL21936185 | 0.86 | — | — | |
| SCHEMBL5101181 | 0.79 | — | — | |
| SCHEMBL2385755 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL31340503 | 0.77 | PIM1 (0.33) | — | |
| SCHEMBL8297059 | 0.73 | — | — | |
| SCHEMBL17798791 | 0.73 | — | — | |
| SCHEMBL14527947 | 0.73 | MEN1 (0.36) | — | |
| SCHEMBL20240671 | 0.72 | CHRNA7 (0.31) | — | |
| SCHEMBL18957514 | 0.72 | CHRNA7 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2022140428-A2 | INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2022-06-30 | — | — | WO | disclosed |
| WO-2021222353-A1 | MACROCYCLIC INHIBITORS OF PEPTIDYLARGININE DEIMINASES | GILEAD SCIENCES, INC. (US) | 2021-11-04 | — | — | WO | disclosed |