⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18391368 | 0.93 | — | — | |
| SCHEMBL21778945 | 0.92 | — | — | |
| SCHEMBL18925131 | 0.85 | — | — | |
| SCHEMBL19492439 | 0.71 | FAAH (0.32) | — | |
| SCHEMBL19155331 | 0.69 | FAAH (0.31) | — | |
| SCHEMBL21787565 | 0.66 | SLC5A2 (0.36) | — | |
| SCHEMBL255955 | 0.65 | ABCG2 (0.39) | — | |
| SCHEMBL20078814 | 0.64 | HTT (0.42) | — | |
| SCHEMBL21324054 | 0.63 | — | — | |
| SCHEMBL24091489 | 0.63 | LTA4H (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20220133734-A1 | SUBSTITUTED 1H-PYRAZOLO[4,3-C]PYRIDINES AND DERIVATIVES AS EGFR INHIBITORS | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2022-05-05 | — | — | US | disclosed |
| US-11077107-B2 | Triazolopyrazine | BOEHRINGER INGELHEIM INTERNATIONAL GMBH | 2021-08-03 | — | — | US | disclosed |
| US-20190240219-A1 | TRIAZOLOPYRAZINE | BOEHRINGER INGELHEIM INT (DE) | 2019-08-08 | — | — | US | disclosed |