⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19756494 | 1.00 | — | — | |
| SCHEMBL19756493 | 1.00 | — | — | |
| SCHEMBL19756479 | 0.86 | CYP2D6 (0.34) | — | |
| SCHEMBL21451660 | 0.81 | CYP2D6 (0.40) | — | |
| SCHEMBL19756492 | 0.81 | CYP2D6 (0.40) | — | |
| SCHEMBL21451639 | 0.81 | CYP2D6 (0.40) | — | |
| SCHEMBL22752326 | 0.79 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL19121846 | 0.76 | — | — | |
| SCHEMBL18969273 | 0.75 | — | — | |
| SCHEMBL18969324 | 0.75 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230203039-A1 | MACROCYCLIC PAD4 INHIBITORS USEFUL AS IMMUNOSUPPRESSANT | BRISTOL MYERS SQUIBB CO (US) | 2023-06-29 | — | — | US | disclosed |
| US-20230167131-A1 | HETEROCYCLIC PAD4 INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2023-06-01 | — | — | US | disclosed |
| US-9963448-B2 | Bicyclic inhibitors of PAD4 | PADLOCK THERAPEUTICS, INC. (US) | 2018-05-08 | — | — | US | disclosed |
| US-20170369498-A1 | TRICYCLIC GYRASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2017-12-28 | — | — | US | disclosed |
| US-20170166565-A1 | BICYCLIC INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS, INC. | 2017-06-15 | — | — | US | disclosed |