⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2784363 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL21121451 | 0.67 | GFER (0.36) | — | |
| SCHEMBL538072 | 0.65 | — | — | |
| SCHEMBL12462462 | 0.64 | PDPK1 (0.37) | — | |
| SCHEMBL10561694 | 0.62 | — | — | |
| SCHEMBL4067867 | 0.62 | — | — | |
| SCHEMBL348289 | 0.62 | — | — | |
| SCHEMBL7008953 | 0.62 | ALDH1A1 (0.42) | — | |
| Hydrochloric Acid SCHEMBL15006712 | 0.62 | UHRF1 (0.35) | — | |
| SCHEMBL6850314 | 0.61 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20200375987-A1 | METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF | MERCK SHARP & DOHME CORP. (US) | 2020-12-03 | — | — | US | disclosed |
| WO-2019135920-A1 | METALLO-BETA-LACTAMASE INHIBITORS AND METHODS OF USE THEREOF | MERCK SHARP & DOHME CORP. (US) | 2019-07-11 | — | — | WO | disclosed |
| EP-1723144-A1 | ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | AstraZeneca AB (SE) | 2006-11-22 | — | — | EP | disclosed |
| WO-2006014185-A1 | ADDITIONAL HETEROPOLYCYCLIC COMPOUNDS AND THEIR USE AS METABOTROPIC GLUTAMATE RECEPTOR ANTAGONISTS | ASTRAZENECA AB (SE) | 2006-02-09 | — | — | WO | disclosed |