⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4254560 | 0.71 | — | — | |
| SCHEMBL4259189 | 0.67 | — | — | |
| SCHEMBL17333504 | 0.67 | — | — | |
| SCHEMBL17333502 | 0.67 | — | — | |
| SCHEMBL18132931 | 0.55 | — | — | |
| SCHEMBL11012286 | 0.53 | — | — | |
| SCHEMBL252965 | 0.53 | — | — | |
| SCHEMBL998 | 0.53 | — | — | |
| SCHEMBL14953454 | 0.50 | — | — | |
| SCHEMBL863047 | 0.50 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-117693511-A | Penicillin binding protein inhibitors | 维纳拓尔斯制药公司 | 2024-03-12 | — | — | CN | disclosed |
| EP-3630783-A1 | PENICILLIN-BINDING PROTEIN INHIBITORS | Venatorx Pharmaceuticals, Inc. (US) | 2020-04-08 | — | — | EP | disclosed |
| US-20200102331-A1 | PENICILLIN-BINDING PROTEIN INHIBITORS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2020-04-02 | — | — | US | disclosed |
| WO-2018218154-A1 | PENICILLIN-BINDING PROTEIN INHIBITORS | VenatoRx Pharmaceuticals, Inc. (US) | 2018-11-29 | — | — | WO | disclosed |
| WO-2009046098-A1 | NOVEL CYCLIC BORONATE INHIBITORS OF HCV REPLICATION | SMITHKLINE BEECHAM CORPORATION (US) | 2009-04-09 | — | — | WO | disclosed |