⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13896044 | 1.00 | — | — | |
| SCHEMBL19509006 | 0.81 | — | — | |
| SCHEMBL19509007 | 0.75 | — | — | |
| SCHEMBL9067079 | 0.72 | — | — | |
| SCHEMBL13620682 | 0.72 | — | — | |
| SCHEMBL8266987 | 0.72 | — | — | |
| SCHEMBL257362 | 0.72 | — | — | |
| SCHEMBL790571 | 0.72 | — | — | |
| SCHEMBL17506945 | 0.70 | — | — | |
| SCHEMBL20350072 | 0.70 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-4272832-A2 | ANTIMICROBIAL COMPOUNDS, COMPOSITIONS, AND USES THEREOF | Lakewood Amedex, Inc. (US) | 2023-11-08 | — | — | EP | disclosed |
| EP-3696174-A1 | HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2020-08-19 | — | — | EP | disclosed |
| WO-2017156074-A1 | CALPAIN MODULATORS AND METHODS OF PRODUCTION AND USE THEREOF | BLADE THERAPEUTICS, INC. (US) | 2017-09-14 | — | — | WO | disclosed |
| EP-3208272-A1 | HETEROCYCLIC MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS | Vertex Pharmaceuticals Incorporated (US) | 2017-08-23 | — | — | EP | disclosed |
| US-20170158668-A1 | 2-(3-PYRIDINYL)-1H-BENZIMIDAZOLE DERIVATIVE COMPOUND AND MEDICINE CONTAINING SAME | NIHON MEDI-PHYSICS CO., LTD. (JP) | 2017-06-08 | — | — | US | disclosed |
| WO-2009099177-A1 | AMINO IMIDAZOLE DERIVATIVE | TAISHO PHARMACEUTICAL CO., LTD. (JP) | 2009-08-13 | — | — | WO | disclosed |