⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4426810 | 0.78 | CXCR2 (0.31) | — | |
| SCHEMBL12311384 | 0.75 | PIK3CD (0.31) | — | |
| SCHEMBL314413 | 0.75 | — | — | |
| SCHEMBL19103678 | 0.73 | — | — | |
| SCHEMBL20034736 | 0.73 | — | — | |
| SCHEMBL636442 | 0.70 | — | — | |
| SCHEMBL2223826 | 0.70 | CA1 (0.35) | — | |
| SCHEMBL21217014 | 0.70 | CA1 (0.44) | — | |
| SCHEMBL21210695 | 0.69 | ALDH1A1 (0.36) | — | |
| SCHEMBL19115952 | 0.69 | CNR2 (0.30) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2019148132-A1 | GCN2 INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2019-08-01 | — | — | WO | disclosed |
| US-20170197986-A1 | DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR | MEDSHINE DISCOVERY INC. (CN) | 2017-07-13 | — | — | US | disclosed |
| EP-3150600-A1 | DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR | Medshine Discovery Inc. (CN) | 2017-04-05 | — | — | EP | disclosed |
| WO-2016177686-A1 | PYRIDAZINE DERIVATIVES AS RORc MODULATORS | F. HOFFMANN-LA ROCHE AG (CH) | 2016-11-10 | — | — | WO | disclosed |