⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21295076 | 0.78 | NOTUM (0.31) | — | |
| SCHEMBL21295045 | 0.72 | CYP2A6 (0.36) | — | |
| SCHEMBL21295066 | 0.69 | ALDH1A1 (0.47) | — | |
| SCHEMBL11390081 | 0.68 | CA12 (0.43) | — | |
| SCHEMBL21307282 | 0.66 | TSHR (0.37) | — | |
| SCHEMBL12491153 | 0.64 | MAPT (0.41) | — | |
| SCHEMBL21295065 | 0.62 | ALOX15 (0.30) | — | |
| SCHEMBL21307516 | 0.60 | NOTUM (0.42) | — | |
| SCHEMBL1254699 | 0.59 | KDM4E (0.39) | — | |
| SCHEMBL6628553 | 0.55 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110194770-B | Peptidyl arginine deiminase inhibitors and uses thereof | 药捷安康(南京)科技股份有限公司 | 2022-08-09 | — | — | CN | disclosed |
| EP-3760628-A1 | PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF | Nanjing Transthera Biosciences Co., Ltd. (CN) | 2021-01-06 | — | — | EP | disclosed |
| EP-3760628-A1 | PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF | Nanjing Transthera Biosciences Co., Ltd. (CN) | 2021-01-06 | — | — | EP | disclosed |
| US-20200407370-A1 | PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF | NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) | 2020-12-31 | — | — | US | disclosed |
| US-20200407370-A1 | PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF | NANJING TRANSTHERA BIOSCIENCES CO., LTD. (CN) | 2020-12-31 | — | — | US | disclosed |
| WO-2019161803-A1 | PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF | 南京药捷安康生物科技有限公司 | 2019-08-29 | — | — | WO | disclosed |
| WO-2019161803-A1 | PEPTIDYLARGININE DEIMINASE INHIBITOR AND USE THEREOF | 南京药捷安康生物科技有限公司 | 2019-08-29 | — | — | WO | disclosed |