⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23866057 | 1.00 | — | — | |
| SCHEMBL19301841 | 1.00 | — | — | |
| SCHEMBL18967293 | 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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118302417-A | NLRP3 inhibitors | PTC医疗公司 | 2024-07-05 | — | — | CN | disclosed |
| EP-3833439-B1 | BENZIMIDAZOLE INHIBITORS OF PAD ENZYMES | BRISTOL MYERS SQUIBB CO (US) | 2023-07-12 | — | — | EP | disclosed |
| EP-3885342-A1 | BICYCLIC INHIBITORS OF PAD4 | Padlock Therapeutics, Inc. (US) | 2021-09-29 | — | — | EP | disclosed |
| WO-2021163254-A1 | HETEROCYCLIC PAD4 INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-08-19 | — | — | WO | disclosed |
| WO-2021158840-A1 | MACROCYCLIC PAD4 INHIBITORS USEFUL AS IMMUNOSUPPRESSANT | BRISTOL-MYERS SQUIBB COMPANY (US) | 2021-08-12 | — | — | 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-9963448-B2 | Bicyclic inhibitors of PAD4 | PADLOCK THERAPEUTICS, INC. (US) | 2018-05-08 | — | — | US | disclosed |
| US-9765093-B2 | Aza-benzimidazole inhibitors of PAD4 | PADLOCK THERAPEUTICS, INC. (US) | 2017-09-19 | — | — | US | disclosed |
| WO-2017147102-A1 | HETEROARYL INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS, INC. (US) | 2017-08-31 | — | — | WO | disclosed |
| US-20170166565-A1 | BICYCLIC INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS, INC. | 2017-06-15 | — | — | US | disclosed |
| WO-2017100594-A1 | BICYCLIC INHIBITORS OF PAD4 | PADLOCK THERAPEUTICS, INC. (US) | 2017-06-15 | — | — | WO | 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-20090192129-A1 | BICYCLIC PYRROLE DERIVATIVES | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2009-07-30 | — | — | US | disclosed |
| US-20080318922-A1 | Bicyclic Pyrrole Derivatives | DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) | 2008-12-25 | — | — | US | disclosed |
| US-20070105890-A1 | Novel condensed imidazole derivative | DAINIPPON SUMITOMO PHARMA CO., LTD | 2007-05-10 | — | — | US | disclosed |