⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL738238 | 1.00 | — | — | |
| SCHEMBL1534982 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL27147331 | 0.97 | DPP4 (0.43) | — | |
| Hydrochloric Acid SCHEMBL1217456 | 0.97 | DPP4 (0.43) | — | |
| Hydrochloric Acid SCHEMBL14152640 | 0.97 | DPP4 (0.43) | — | |
| Trifluoroacetic Acid SCHEMBL4683202 | 0.85 | ALDH1A1 (0.38) | — | |
| Trifluoroacetic Acid SCHEMBL30154872 | 0.85 | ALDH1A1 (0.38) | — | |
| SCHEMBL29617079 | 0.84 | — | — | |
| SCHEMBL21955854 | 0.79 | — | — | |
| SCHEMBL7335094 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11332485-B2 | Penicillin-binding protein inhibitors | VenatoRx Pharmaceuticals, Inc. (US) | 2022-05-17 | — | — | US | disclosed |
| US-20200157123-A1 | PENICILLIN-BINDING PROTEIN INHIBITORS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2020-05-21 | — | — | US | disclosed |
| EP-3630782-A1 | PENICILLIN-BINDING PROTEIN INHIBITORS | Venatorx Pharmaceuticals, Inc. (US) | 2020-04-08 | — | — | EP | disclosed |
| CN-110959008-A | Penicillin binding protein inhibitors | 维纳拓尔斯制药公司 | 2020-04-03 | — | — | CN | disclosed |
| WO-2018218190-A1 | PENICILLIN-BINDING PROTEIN INHIBITORS | VenatoRx Pharmaceuticals, Inc. (US) | 2018-11-29 | — | — | WO | disclosed |
| JP-2011126825-A | METHOD FOR PURIFYING OPTICALLY ACTIVE tert-LEUCINAMIDE | MITSUBISHI GAS CHEMICAL CO INC | 2011-06-30 | — | — | JP | disclosed |
| JP-2002253293-A | METHOD FOR PRODUCING OPTICALLY ACTIVE L-tert-LEUCINE | MITSUBISHI GAS CHEM CO INC | 2002-09-10 | — | — | JP | disclosed |