⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2307947 | 0.70 | — | — | |
| SCHEMBL11882802 | 0.70 | — | — | |
| SCHEMBL14850839 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL15363584 | 0.67 | — | — | |
| SCHEMBL3799993 | 0.67 | — | — | |
| SCHEMBL11669625 | 0.67 | — | — | |
| SCHEMBL10399584 | 0.67 | ALDH1A1 (0.36) | — | |
| SCHEMBL27940192 | 0.64 | — | — | |
| SCHEMBL1770297 | 0.64 | — | — | |
| SCHEMBL6138482 | 0.64 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2949647-B1 | DEUTERATED PHENYL AMINO PYRIMIDINE COMPOUND AND PHARMACEUTICAL COMPOSITION CONTAINING SAME | SUZHOU ZELGEN BIOPHARMACEUTICALS CO LTD (CN) | 2020-08-05 | — | — | EP | disclosed |