⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13798803 | 1.00 | — | — | |
| SCHEMBL23866057 | 1.00 | — | — | |
| SCHEMBL19301841 | 1.00 | — | — | |
| SCHEMBL25784034 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL30994948 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL25366246 | 0.98 | — | — | |
| SCHEMBL21787689 | 0.81 | — | — | |
| SCHEMBL16384327 | 0.81 | — | — | |
| SCHEMBL16384333 | 0.81 | — | — | |
| SCHEMBL14427980 | 0.81 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20250340563-A1 | FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS | TAKEDA DEVELOPMENT CENTER AMERICAS, INC. | 2025-11-06 | — | — | US | disclosed |
| EP-4504733-A1 | FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS | Takeda Pharmaceutical Company Limited (JP) | 2025-02-12 | — | — | EP | disclosed |
| US-20240262806-A1 | INHIBITORS OF NLRP3 | PCT THERAPEUTICS, INC. (US) | 2024-08-08 | — | — | US | disclosed |
| CN-118302417-A | NLRP3 inhibitors | PTC医疗公司 | 2024-07-05 | — | — | CN | disclosed |
| WO-2023194964-A1 | FUSED PYRIDAZINE DERIVATIVES AS NLRP3 INHIBITORS | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2023-10-12 | — | — | WO | disclosed |
| WO-2023159148-A2 | INHIBITORS OF NLRP3 | PTC THERAPEUTICS, INC. (US) | 2023-08-24 | — | — | WO | disclosed |
| EP-3833439-B1 | BENZIMIDAZOLE INHIBITORS OF PAD ENZYMES | BRISTOL MYERS SQUIBB CO (US) | 2023-07-12 | — | — | EP | disclosed |
| 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 |
| WO-2023028534-A1 | INHIBITORS OF NLRP3 | PTC THERAPEUTICS, INC. (US) | 2023-03-02 | — | — | WO | disclosed |
| EP-3386505-B1 | AZA-BENZIMIDAZOLE INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS INC (US) | 2020-09-23 | — | — | EP | disclosed |
| WO-2020033490-A1 | SUBSTITUTED THIENOPYRROLES AS PAD4 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2020-02-13 | — | — | WO | disclosed |
| US-9765093-B2 | Aza-benzimidazole inhibitors of PAD4 | PADLOCK THERAPEUTICS, INC. (US) | 2017-09-19 | — | — | US | disclosed |
| WO-2017100601-A1 | AZA-BENZIMIDAZOLE INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS, INC. (US) | 2017-06-15 | — | — | WO | disclosed |
| US-20170166592-A1 | AZA-BENZIMIDAZOLE INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS, INC. | 2017-06-15 | — | — | US | disclosed |
| US-20170166565-A1 | BICYCLIC INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS, INC. | 2017-06-15 | — | — | US | disclosed |