⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14108402 | 0.82 | KDM4E (0.32) | — | |
| Hydrochloric Acid SCHEMBL28847293 | 0.80 | KDM4E (0.31) | — | |
| SCHEMBL31644571 | 0.79 | — | — | |
| SCHEMBL30436490 | 0.79 | KDM4E (0.40) | — | |
| SCHEMBL30437079 | 0.79 | KDM4E (0.36) | — | |
| SCHEMBL30436686 | 0.77 | SMURF1 (0.31) | — | |
| SCHEMBL31644725 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL693290 | 0.74 | PARP1 (0.36) | — | |
| SCHEMBL18584505 | 0.68 | — | — | |
| SCHEMBL18584504 | 0.67 | CHRNA4 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230167103-A1 | SUBSTITUTED AMINOTHIAZOLES AS DGKZETA INHIBITORS FOR IMMUNE ACTIVATION | BAYER AKTIENGESELLSCHAFT (DE) | 2023-06-01 | — | — | US | disclosed |