⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16100463 | 1.00 | — | — | |
| SCHEMBL29774713 | 0.90 | ALDH1A1 (0.45) | — | |
| SCHEMBL5771150 | 0.89 | — | — | |
| SCHEMBL10331894 | 0.86 | CXCR4 (0.30) | — | |
| SCHEMBL6030865 | 0.86 | — | — | |
| SCHEMBL24389786 | 0.83 | CXCR4 (0.35) | — | |
| SCHEMBL17476601 | 0.79 | ALDH1A1 (0.45) | — | |
| SCHEMBL6102491 | 0.79 | ALDH1A1 (0.45) | — | |
| SCHEMBL15523094 | 0.78 | — | — | |
| SCHEMBL15523093 | 0.78 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10294248-B2 | Beta-lactamase inhibitors | VenatoRx Pharmaceuticals, Inc. (US) | 2019-05-21 | — | — | US | disclosed |
| US-20180273552-A1 | BETA-LACTAMASE INHIBITORS | NATIONAL INSTITUTES OF HEALTH | 2018-09-27 | — | — | US | disclosed |
| US-9944658-B2 | Beta-lactamase inhibitors | VenatoRx Pharmaceuticals, Inc. (US) | 2018-04-17 | — | — | US | disclosed |
| US-20170145037-A1 | ORALLY BIOAVAILABLE BETA-LACTAMASE INHIBITORS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2017-05-25 | — | — | US | disclosed |
| US-20160024121-A1 | BETA-LACTAMASE INHIBITORS | VenatoRx Pharmaceuticals, Inc. | 2016-01-28 | — | — | US | disclosed |
| EP-2970340-A1 | BETA-LACTAMASE INHIBITORS | Venatorx Pharmaceuticals Inc (US) | 2016-01-20 | — | — | EP | disclosed |
| US-20150361108-A1 | ORALLY BIOAVAILABLE BETA-LACTAMASE INHIBITORS | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2015-12-17 | — | — | US | disclosed |
| WO-2014151958-A1 | BETA-LACTAMASE INHIBITORS | VenatoRx Pharmaceuticals, Inc. (US) | 2014-09-25 | — | — | WO | disclosed |