⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28516612 | 0.80 | ALDH1A1 (0.36) | — | |
| SCHEMBL21764736 | 0.74 | — | — | |
| SCHEMBL21764794 | 0.68 | NAAA (0.31) | — | |
| SCHEMBL21764570 | 0.67 | CYP3A4 (0.47) | — | |
| SCHEMBL21764951 | 0.67 | — | — | |
| SCHEMBL2473447 | 0.66 | ALDH1A1 (0.39) | — | |
| SCHEMBL2380925 | 0.66 | ALDH1A1 (0.39) | — | |
| SCHEMBL1921756 | 0.66 | SMPD1 (0.42) | — | |
| SCHEMBL939429 | 0.65 | ALDH1A1 (0.39) | — | |
| SCHEMBL1921755 | 0.65 | TSHR (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230371517-A1 | COMBINATIONS TREATMENTS | AEQUOR, INC. (US) | 2023-11-23 | — | — | US | disclosed |
| US-20230371517-A1 | COMBINATIONS TREATMENTS | AEQUOR, INC. (US) | 2023-11-23 | — | — | US | disclosed |
| WO-2022081594-A1 | ANTIMICROBIAL COMBINATION THERAPEUTICS | AEQUOR, INC. (US) | 2022-04-21 | — | — | WO | disclosed |
| EP-3474860-B1 | ANTIMICROBIAL COMPOUNDS AND METHODS OF USE | AEQUOR INC (US) | 2021-12-15 | — | — | EP | disclosed |
| US-20200060280-A1 | Antimicrobial Compounds and Methods of Use | AEQUOR, INC. | 2020-02-27 | — | — | US | disclosed |