⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6887791 | 0.73 | — | — | |
| SCHEMBL21029488 | 0.73 | — | — | |
| SCHEMBL24357879 | 0.69 | — | — | |
| SCHEMBL21369241 | 0.69 | — | — | |
| SCHEMBL16329859 | 0.69 | — | — | |
| SCHEMBL22562714 | 0.67 | — | — | |
| SCHEMBL18649730 | 0.67 | — | — | |
| SCHEMBL19932539 | 0.66 | — | — | |
| SCHEMBL13142769 | 0.66 | — | — | |
| SCHEMBL19245994 | 0.65 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3807274-B1 | 4-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE AS ERBB MODULATORS USEFUL FOR TREATING CANCER | LEAD DISCOVERY CENTER GMBH (DE) | 2022-07-27 | — | — | EP | disclosed |
| WO-2021224489-A1 | NOVEL COMPOUNDS FOR DIAGNOSIS | AC IMMUNE SA (CH) | 2021-11-11 | — | — | WO | disclosed |
| EP-3299361-A1 | PYRAZOLE DERIVATIVES AS MODULATORS OF CALCIUM RELEASE-ACTIVATED CALCIUM CHANNEL | Rhizen Pharmaceuticals S.A. (CH) | 2018-03-28 | — | — | EP | disclosed |